[(1S)-2-oxidanylidenecyclohexyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C16H16N2O4/c17-10-9-15(20)18-12-7-5-11(6-8-12)16(21)22-14-4-2-1-3-13(14)19/h5-8,14H,1-4,9H2,(H,18,20)/t14-/m0/s1