Compound Identification
SMILES
CC1=NN(C2CC(OC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C(OC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C(COC(=O)C3=CC=C(C=C3)[N+]([O-])=O)O2)C(=O)NC1=O
InChIKey
InChIKey=MIFXJGYIGLJNNL-UHFFFAOYSA-N
Formula
C31H24N6O15
Mass
720.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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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 Tricarboxylic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Oxanes 1,2,4-triazines Heteroaromatic compounds Carboxylic acid esters Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Tricarboxylic acid or derivatives - Nitroaromatic compound - Benzoyl - 1,2,4-triazine - Oxane - Triazine - Heteroaromatic compound - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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