4-[(E)-2-cyano-3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile

Systemtic Name: 4-[(E)-2-cyano-3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(E)-2-cyano-3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(E)-2-cyano-3-[4-(2-nitrophenyl)-1-piperazinyl]-3-oxoprop-1-enyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(E)-2-cyano-3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(E)-2-cyano-3-keto-3-[4-(2-nitrophenyl)piperazino]prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3/c1-15-16(12-18(14-23)24(15)2)11-17(13-22)21(28)26-9-7-25(8-10-26)19-5-3-4-6-20(19)27(29)30/h3-6,11-12H,7-10H2,1-2H3/b17-11+