(Z)-3-(3-nitro-4-oxidanyl-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-(3-nitro-4-oxidanyl-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-(4-hydroxy-3-nitro-phenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-(4-hydroxy-3-nitrophenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (Z)-3-(4-hydroxy-3-nitrophenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-(4-hydroxy-3-nitro-phenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C\C3=CC(=C(C=C3)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H18N4O4/c21-14-16(12-15-6-7-19(25)18(13-15)24(27)28)20(26)23-10-8-22(9-11-23)17-4-2-1-3-5-17/h1-7,12-13,25H,8-11H2/b16-12-