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

Systemtic Name: (E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-(4-methyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-(4-methyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-(4-methyl-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-(4-methyl-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-(4-methyl-3-nitro-phenyl)acrylamide Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-12-5-3-4-6-16(12)20-18(22)15(11-19)9-14-8-7-13(2)17(10-14)21(23)24/h7-10,12,16H,3-6H2,1-2H3,(H,20,22)/b15-9+/t12-,16+/m1/s1