methyl (Z)-2-cyano-3-(5-nitro-2-piperidin-1-yl-phenyl)prop-2-enoate

Systemtic Name: methyl (Z)-2-cyano-3-(5-nitro-2-piperidin-1-yl-phenyl)prop-2-enoate Openeye Name: methyl (Z)-2-cyano-3-[5-nitro-2-(1-piperidyl)phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[5-nitro-2-(1-piperidinyl)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-cyano-3-(5-nitro-2-piperidin-1-ylphenyl)prop-2-enoate Traditional Name: (Z)-2-cyano-3-(5-nitro-2-piperidino-phenyl)acrylic acid methyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2)C#N

Isomeric SMILES

COC(=O)/C(=C\C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2)/C#N

InChI

InChI=1S/C16H17N3O4/c1-23-16(20)13(11-17)9-12-10-14(19(21)22)5-6-15(12)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3/b13-9-