(1S,6R)-6-[(3-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(3-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(3-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(3-cyanoanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(3-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(3-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H13N2O3- MolecularWeight: 269.27532

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=CC(=C2)C#N)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC=CC(=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C15H14N2O3/c16-9-10-4-3-5-11(8-10)17-14(18)12-6-1-2-7-13(12)15(19)20/h1-5,8,12-13H,6-7H2,(H,17,18)(H,19,20)/p-1/t12-,13+/m1/s1