6-[(2-bromanyl-4-methyl-phenyl)carbamoyl]-4-chloranyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(2-bromanyl-4-methyl-phenyl)carbamoyl]-4-chloranyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(2-bromo-4-methyl-phenyl)carbamoyl]-4-chloro-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(2-bromo-4-methylanilino)-oxomethyl]-4-chloro-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(2-bromo-4-methylphenyl)carbamoyl]-4-chlorocyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(2-bromo-4-methyl-phenyl)carbamoyl]-4-chloro-cyclohex-3-ene-1-carboxylic acid Formula: C15H15BrClNO3 MolecularWeight: 372.6415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CC(=CCC2C(=O)O)Cl)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CC(=CCC2C(=O)O)Cl)Br

InChI

InChI=1S/C15H15BrClNO3/c1-8-2-5-13(12(16)6-8)18-14(19)11-7-9(17)3-4-10(11)15(20)21/h2-3,5-6,10-11H,4,7H2,1H3,(H,18,19)(H,20,21)