Compound Identification
SMILES
CC(C)(C)OP(=O)(OCCONC(=O)C1=CC2=C(N=CN2CC2CCCCO2)C(F)=C1NC1=C(Cl)C=C(Br)C=C1)OC(C)(C)C
InChIKey
InChIKey=ZUFVDPPRNNBXHP-UHFFFAOYSA-N
Formula
C30H40BrClFN4O7P
Mass
734.0
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
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzimidazoles Trialkyl phosphates Aniline and substituted anilines Bromobenzenes Chlorobenzenes Primary aromatic amines Aryl fluorides N-substituted imidazoles Aryl chlorides Aryl bromides Oxanes Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Secondary amines Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzimidazole - Trialkyl phosphate - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Bromobenzene - Organic phosphoric acid derivative - N-substituted imidazole - Aryl bromide - Oxane - Phosphoric acid ester - Aryl halide - Alkyl phosphate - Aryl fluoride - Aryl chloride - Primary aromatic amine - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available