Compound Identification
SMILES
COC1=C(OC)C(OC)=C(C=C1)N1CC2=C(C1)C=C(NC1=C(C=CC(=C1)[N+]([O-])=O)C(O)=O)C=C2
InChIKey
InChIKey=XJTCINOJCCBROK-UHFFFAOYSA-N
Formula
C24H23N3O7
Mass
465.462
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
Aminobenzoic acids Benzoic acids Isoindoles Isoindolines Methoxyanilines Nitrobenzenes Aminophenyl ethers Benzoyl derivatives Dialkylarylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Anisoles Alkyl aryl ethers Aralkylamines Primary aromatic amines Vinylogous amides Amino acids Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Isoindoline - Isoindole - Isoindole or derivatives - Nitrobenzene - Aminophenyl ether - Methoxyaniline - Methoxybenzene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Anisole - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Benzoyl - Aralkylamine - Alkyl aryl ether - Primary aromatic amine - Vinylogous amide - C-nitro compound - Tertiary amine - Organic nitro compound - Amino acid or derivatives - Amino acid - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxygen compound - Organic salt - Amine - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available