(1S,6S)-6-[(2-bromanyl-4-methyl-phenyl)carbamoyl]-4-chloranyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(2-bromanyl-4-methyl-phenyl)carbamoyl]-4-chloranyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(2-bromo-4-methyl-phenyl)carbamoyl]-4-chloro-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(2-bromo-4-methylanilino)-oxomethyl]-4-chloro-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(2-bromo-4-methylphenyl)carbamoyl]-4-chlorocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(2-bromo-4-methyl-phenyl)carbamoyl]-4-chloro-cyclohex-3-ene-1-carboxylate Formula: C15H14BrClNO3- MolecularWeight: 371.63356

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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)[C@H]2CC(=CC[C@@H]2C(=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)/p-1/t10-,11-/m0/s1