Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=C2C(=CS1)C=CC(=C2C(=O)N1CCOCC1)[N+]([O-])=O
InChIKey
InChIKey=LCCNEMWNXTWMDI-UHFFFAOYSA-N
Formula
C21H20N2O6S
Mass
428.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Methoxybenzenes
- Level 5 Dimethoxybenzenes
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Subclass
Methoxybenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
2-benzothiophenes Morpholine carboxylic acids and derivatives Phenoxy compounds Anisoles Nitroaromatic compounds Alkyl aryl ethers Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Dialkyl ethers Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dimethoxybenzene - O-dimethoxybenzene - Benzothiophene - 2-benzothiophene - Morpholine-4-carboxylic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Morpholine - Oxazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Organic nitro compound - Carboxamide group - C-nitro compound - Tertiary amine - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors
Not available