(1S,6S)-6-[[2-(4-chlorophenyl)ethanoylamino]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[2-(4-chlorophenyl)ethanoylamino]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H16ClN2O4- MolecularWeight: 335.76224

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NNC(=O)CC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NNC(=O)CC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C16H17ClN2O4/c17-11-7-5-10(6-8-11)9-14(20)18-19-15(21)12-3-1-2-4-13(12)16(22)23/h1-2,5-8,12-13H,3-4,9H2,(H,18,20)(H,19,21)(H,22,23)/p-1/t12-,13-/m0/s1