Compound Identification
SMILES
COC(=O)N1C[C@@H](OC(=O)C2=CC=C(Br)C=C2)[C@@H](OC1(C)C)[C@@H](OC(=O)C1=CC=C(Br)C=C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=FFPUXWYXFOCXDF-DSNGMDLFSA-N
Formula
C29H26Br2N2O9
Mass
706.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzyloxycarbonyls Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Bromobenzenes 1,3-oxazinanes Aryl bromides Methylcarbamates Tertiary amines Carboxylic acid esters Organic oxoazanium compounds Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organobromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzyloxycarbonyl - Benzoate ester - Nitrobenzene - Benzoyl - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Oxazinane - 1,3-oxazinane - Aryl halide - Methylcarbamate - Carbamic acid ester - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available