Compound Identification
SMILES
[Fe].OC(=O)C1=CC=C(C=C1)[N+]([O-])=O.CC(C)C1=NN([B-](N2N=C(C=C2C(C)C)C(C)C)N2N=C(C=C2C(C)C)C(C)C)C(=C1)C(C)C
InChIKey
InChIKey=IRQYMSKYQVHAOX-UHFFFAOYSA-N
Formula
C34H50BFeN7O4
Mass
687.47
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 acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyrazoles Heteroaromatic compounds Azacyclic compounds Carboxylic acids Organic transition metal salts Organic oxoazanium compounds Organic metalloid salts Hydrocarbon derivatives Organooxygen compounds Organic oxides Organonitrogen compounds Organic cations
Molecular Framework
Not available
Substituents
Nitrobenzoate - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Azole - Heteroaromatic compound - Pyrazole - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic metalloid salt - Organic oxoazanium - Organic transition metal salt - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic cation - 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