Compound Identification
SMILES
CCCCC1=C(OC(=O)C2=CC=CC=C2[N+]([O-])=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=UTQDKEDFFOPYBV-UHFFFAOYSA-N
Formula
C26H23N3O5
Mass
457.486
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
Phenylpyrazoles Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyrazolones Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Phenylpyrazole - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Pyrazolinone - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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