(E)-3-(2-methoxy-4-piperidin-1-yl-phenyl)-2-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: (E)-3-(2-methoxy-4-piperidin-1-yl-phenyl)-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-3-[2-methoxy-4-(1-piperidyl)phenyl]-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-[2-methoxy-4-(1-piperidinyl)phenyl]-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-3-(2-methoxy-4-piperidin-1-ylphenyl)-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-(2-methoxy-4-piperidino-phenyl)-2-(3-nitrophenyl)acrylonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCCCC2)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCCCC2)/C=C(/C#N)\C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O3/c1-27-21-14-19(23-10-3-2-4-11-23)9-8-17(21)12-18(15-22)16-6-5-7-20(13-16)24(25)26/h5-9,12-14H,2-4,10-11H2,1H3/b18-12-