Compound Identification
SMILES
COC(=O)C1=CC(=C(OC(F)(N2CCCC2)C(=O)C(NC2=CC=CC=C2C)C2=CC3=C(C=C2)N=CO3)C=C1)[N+]([O-])=O
InChIKey
InChIKey=QXLUUEXPRUBXKD-UHFFFAOYSA-N
Formula
C29H27FN4O7
Mass
562.554
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
Benzoic acid esters Benzoxazoles Nitrobenzenes Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Phenol ethers Phenoxy compounds Secondary alkylarylamines N-alkylpyrrolidines Alpha-amino ketones Oxazoles Alpha-haloketones Heteroaromatic compounds Methyl esters Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organofluorides Organic oxides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Benzoxazole - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - N-alkylpyrrolidine - Alpha-aminoketone - Alpha-haloketone - Azole - Methyl ester - Oxazole - Heteroaromatic compound - Pyrrolidine - C-nitro compound - Organic nitro compound - Ketone - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Amine - Alkyl halide - Organic zwitterion - 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