Compound Identification
SMILES
CS\C(=N/C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)N(CC[N+](C)(C)CC1=CC=CC2=C1C=CC=C2OCC1=C(N2[C@@H]([C@@H](C(C)C)C2=O)[C@H]1C)C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=OYNCJHUJSFBUSY-VKFCZKAOSA-N
Formula
C52H48N7O17S
Mass
1075.05
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 Pyrroline carboxylic acids Phenol ethers Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Azepines Tetraalkylammonium salts Tertiary carboxylic acid amides Carboxylic acid anhydrides Tertiary amines Azetidines Isothioureas Carboximidamides Monocarboxylic acids and derivatives Sulfenyl compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Organic oxides Organic salts Hydrocarbon derivatives Imines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Carbapenem - Alpha-amino acid or derivatives - Naphthalene - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Pyrroline carboxylic acid - Benzoyl - Pyrroline carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Tertiary carboxylic acid amide - Carboxylic acid anhydride - Quaternary ammonium salt - Pyrroline - Beta-lactam - Tetraalkylammonium salt - Tertiary amine - Carboxamide group - Isothiourea - Lactam - Organic nitro compound - Azetidine - Amino acid or derivatives - C-nitro compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboximidamide - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Carbonyl group - Amine - Organic salt - Organosulfur compound - Hydrocarbon derivative - Imine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - 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