ethyl (E)-2-cyano-3-(5-nitro-2-piperidin-1-yl-phenyl)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(5-nitro-2-piperidin-1-yl-phenyl)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[5-nitro-2-(1-piperidyl)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[5-nitro-2-(1-piperidinyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(5-nitro-2-piperidin-1-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(5-nitro-2-piperidino-phenyl)acrylic acid ethyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4/c1-2-24-17(21)14(12-18)10-13-11-15(20(22)23)6-7-16(13)19-8-4-3-5-9-19/h6-7,10-11H,2-5,8-9H2,1H3/b14-10+