Compound Identification
SMILES
CC(C)[C@@H]1[C@H]2[C@@H](C)C(COC3=CC=CC4=C3C=CC=C4CC[N+](C)(C)CCN(C)C)=C(N2C1=O)C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=IXKSIKHMTUNFPF-OHASNXHUSA-N
Formula
C37H45N4O7
Mass
657.787
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 Benzyloxycarbonyls Naphthalenes Nitrobenzenes Phenethylamines Benzoyl derivatives Pyrroline carboxylic acids Nitroaromatic compounds Phenol ethers Aralkylamines Alkyl aryl ethers Azepines Carboxylic acid anhydrides Tertiary carboxylic acid amides Tetraalkylammonium salts Trialkylamines Azetidines Azacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Carbapenem - Alpha-amino acid or derivatives - Naphthalene - Benzyloxycarbonyl - Phenethylamine - Nitrobenzene - Nitroaromatic compound - Phenol ether - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Benzoyl - Alkyl aryl ether - Azepine - Aralkylamine - Quaternary ammonium salt - Pyrroline - Carboxylic acid anhydride - Tetraalkylammonium salt - Tertiary carboxylic acid amide - Beta-lactam - Amino acid or derivatives - Carboxamide group - Lactam - Organic nitro compound - C-nitro compound - Azetidine - Tertiary amine - Tertiary aliphatic amine - Ether - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic cation - 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