(E)-2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-[(1S,2S)-2-methylcyclohexyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-N-[(1S,2S)-2-methylcyclohexyl]acrylamide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-11-5-3-4-6-14(11)20-18(23)13(10-19)7-12-8-15(21(24)25)17(22)16(9-12)26-2/h7-9,11,14,22H,3-6H2,1-2H3,(H,20,23)/b13-7+/t11-,14-/m0/s1