4,5-bis(bromanyl)-2-[(3-chloranyl-2-methyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4,5-bis(bromanyl)-2-[(3-chloranyl-2-methyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4,5-dibromo-2-[(3-chloro-2-methyl-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 4,5-dibromo-2-[(3-chloro-2-methylanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4,5-dibromo-2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4,5-dibromo-2-[(3-chloro-2-methyl-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C15H16Br2ClNO3 MolecularWeight: 453.55344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2CC(C(CC2C(=O)O)Br)Br

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2CC(C(CC2C(=O)O)Br)Br

InChI

InChI=1S/C15H16Br2ClNO3/c1-7-12(18)3-2-4-13(7)19-14(20)8-5-10(16)11(17)6-9(8)15(21)22/h2-4,8-11H,5-6H2,1H3,(H,19,20)(H,21,22)