4-[(E)-2-cyano-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-(4-phenyl-1-piperazinyl)prop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(4-phenylpiperazino)prop-1-enyl]-2-nitro-phenolate Formula: C20H17N4O4- MolecularWeight: 377.37338

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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/p-1/b16-12+