5-nitro-2-[4-(2-nitrophenyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(2-nitrophenyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(2-nitrophenyl)piperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-(2-nitrophenyl)-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-(2-nitrophenyl)piperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-(2-nitrophenyl)piperazino]benzonitrile Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O4/c18-12-13-11-14(21(23)24)5-6-15(13)19-7-9-20(10-8-19)16-3-1-2-4-17(16)22(25)26/h1-6,11H,7-10H2