4-[[4-(2-methoxy-5-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methoxy-5-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methoxy-5-nitro-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methoxy-5-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-methoxy-5-nitro-benzoyl)piperazino]methyl]benzonitrile Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4O4/c1-28-19-7-6-17(24(26)27)12-18(19)20(25)23-10-8-22(9-11-23)14-16-4-2-15(13-21)3-5-16/h2-7,12H,8-11,14H2,1H3