(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-hydroxy-3-nitro-phenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-[(1S,2S)-2-methylcyclohexyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-hydroxy-3-nitro-phenyl)-N-[(1S,2S)-2-methylcyclohexyl]acrylamide Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H19N3O4/c1-11-4-2-3-5-14(11)19-17(22)13(10-18)8-12-6-7-16(21)15(9-12)20(23)24/h6-9,11,14,21H,2-5H2,1H3,(H,19,22)/b13-8+/t11-,14-/m0/s1