Compound Identification
SMILES
CCOC(=O)C1(CC1)NC(=O)CN1N=C(OC1=O)C1=CC(OC)=C(OC)C=C1[N+]([O-])=O
InChIKey
InChIKey=KSRAUKWTPNMBLT-UHFFFAOYSA-N
Formula
C18H20N4O9
Mass
436.377
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Nitrophenyl ethers Dimethoxybenzenes Methoxyanilines Anisoles Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Cyclopropanecarboxylic acids and derivatives Heteroaromatic compounds 1,3,4-oxadiazoles Carboxylic acid esters Secondary carboxylic acid amides Organic oxoazanium compounds Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Nitrophenyl ether - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Methoxyaniline - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Cyclopropanecarboxylic acid or derivatives - Monocyclic benzene moiety - 1,3,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Azole - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid ester - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available