4-[[4-(4-azanyl-3-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-azanyl-3-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-amino-3-nitro-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-amino-3-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-amino-3-nitrobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-amino-3-nitro-benzoyl)piperazino]methyl]benzonitrile Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c20-12-14-1-3-15(4-2-14)13-22-7-9-23(10-8-22)19(25)16-5-6-17(21)18(11-16)24(26)27/h1-6,11H,7-10,13,21H2