Compound Identification
SMILES
CNC1=C(Br)C=C2OC(C[C@H]3OC4(CC[C@@H]3C)OC([C@H](C)C(=O)C3=CC=CN3)[C@H](C)C[C@@H]4C)=NC2=C1C(O)=O
InChIKey
InChIKey=LDXQFZZGVTWFCF-GGVREKQNSA-N
Formula
C29H36BrN3O6
Mass
602.526
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
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Subclass
Benzoic acids and derivatives
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Level 5
Halobenzoic acids and derivatives
- Level 6 Halobenzoic acids
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Level 5
Halobenzoic acids and derivatives
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
Halobenzoic acids
Alternative Parents
3-halobenzoic acids Benzoxazoles 2-bromoanilines Aryl alkyl ketones Secondary alkylarylamines Ketals Substituted pyrroles Aryl bromides Oxanes Heteroaromatic compounds Vinylogous amides Oxazoles Amino acids Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Aldehydes Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoxazole - 2-bromoaniline - Aryl ketone - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Ketal - Aryl bromide - Aryl halide - Substituted pyrrole - Oxane - Pyrrole - Azole - Heteroaromatic compound - Vinylogous amide - Oxazole - Ketone - Amino acid - Amino acid or derivatives - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Amine - Aldehyde - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors
Not available