(1S,6S)-4-chloranyl-6-[(3-ethanoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-4-chloranyl-6-[(3-ethanoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(3-acetylphenyl)carbamoyl]-4-chloro-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(3-acetylanilino)-oxomethyl]-4-chloro-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(3-acetylphenyl)carbamoyl]-4-chlorocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(3-acetylphenyl)carbamoyl]-4-chloro-cyclohex-3-ene-1-carboxylate Formula: C16H15ClNO4- MolecularWeight: 320.7476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2CC(=CCC2C(=O)[O-])Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H]2CC(=CC[C@@H]2C(=O)[O-])Cl

InChI

InChI=1S/C16H16ClNO4/c1-9(19)10-3-2-4-12(7-10)18-15(20)14-8-11(17)5-6-13(14)16(21)22/h2-5,7,13-14H,6,8H2,1H3,(H,18,20)(H,21,22)/p-1/t13-,14-/m0/s1