3-nitro-4-(4-phenylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4-phenylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 3-nitro-4-(4-phenylpiperazin-1-yl)benzonitrile CAS Name: 3-nitro-4-(4-phenyl-1-piperazinyl)benzonitrile IUPAC Name: 3-nitro-4-(4-phenylpiperazin-1-yl)benzonitrile Traditional Name: 3-nitro-4-(4-phenylpiperazino)benzonitrile Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2/c18-13-14-6-7-16(17(12-14)21(22)23)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-7,12H,8-11H2