Compound Identification
SMILES
COC1=C(OC(F)F)C=CC(COC(=O)C2=CC(OC)=C(OC)C=C2[N+]([O-])=O)=C1
InChIKey
InChIKey=HJUJGCBDIOICQP-UHFFFAOYSA-N
Formula
C18H17F2NO8
Mass
413.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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 Benzoic acid esters Benzyloxycarbonyls Dimethoxybenzenes Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organofluorides Hydrocarbon derivatives Organonitrogen compounds Alkyl fluorides Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - P-methoxybenzoic acid or derivatives - Nitrophenyl ether - M-methoxybenzoic acid or derivatives - Benzoate ester - Benzyloxycarbonyl - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Methoxyaniline - Phenol ether - Methoxybenzene - Benzoyl - Anisole - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic salt - Organohalogen compound - Alkyl fluoride - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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