Compound Identification
SMILES
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(COC3=CC=CC4=C3C=CC=C4N(C)C)=C(N2C1=O)C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=SLUGIAAUNJYAJL-LJGHIQEKSA-N
Formula
C30H29N3O8
Mass
559.575
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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
Carbapenems Alpha amino acids and derivatives Naphthalenes Benzyloxycarbonyls Nitrobenzenes Pyrroline carboxylic acids Phenol ethers Benzoyl derivatives Nitroaromatic compounds Dialkylarylamines Alkyl aryl ethers Azepines Tertiary carboxylic acid amides Carboxylic acid anhydrides Secondary alcohols Azetidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Carbapenem - Alpha-amino acid or derivatives - Naphthalene - Benzyloxycarbonyl - Nitrobenzene - Pyrroline carboxylic acid or derivatives - Nitroaromatic compound - Pyrroline carboxylic acid - Dialkylarylamine - Benzoyl - Phenol ether - Alkyl aryl ether - Azepine - Tertiary carboxylic acid amide - Pyrroline - Carboxylic acid anhydride - Beta-lactam - Secondary alcohol - Tertiary amine - Carboxamide group - Lactam - Organic nitro compound - C-nitro compound - Azetidine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Amine - Organic oxygen compound - Organic salt - Carbonyl group - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organonitrogen compound - Organic nitrogen 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