(1S,6S)-6-[(2-chloranyl-5-methoxycarbonyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(2-chloranyl-5-methoxycarbonyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(2-chloro-5-methoxycarbonyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(2-chloro-5-methoxycarbonylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(2-chloro-5-methoxycarbonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(5-carbomethoxy-2-chloro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H15ClNO5- MolecularWeight: 336.747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO5/c1-23-16(22)9-6-7-12(17)13(8-9)18-14(19)10-4-2-3-5-11(10)15(20)21/h2-3,6-8,10-11H,4-5H2,1H3,(H,18,19)(H,20,21)/p-1/t10-,11-/m0/s1