Compound Identification
SMILES
COC1=C(OC)C(=C(C(=O)OCC2=CC=CC=C2)C(CCO)=C1)[N+]([O-])=O
InChIKey
InChIKey=FJSPFORUKPBINY-UHFFFAOYSA-N
Formula
C18H19NO7
Mass
361.35
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
P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Nitrophenyl ethers Tyrosols and derivatives Benzoic acid esters Benzyloxycarbonyls Dimethoxybenzenes Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Primary alcohols Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - P-methoxybenzoic acid or derivatives - Nitrophenyl ether - M-methoxybenzoic acid or derivatives - Tyrosol derivative - Benzyloxycarbonyl - Dimethoxybenzene - O-dimethoxybenzene - Benzoate ester - Methoxyaniline - Nitrobenzene - Phenoxy compound - Phenol ether - Nitroaromatic compound - Methoxybenzene - Benzoyl - Anisole - Alkyl aryl ether - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic salt - Organic oxide - Organic zwitterion - Primary alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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