3-nitro-4-(2-piperazin-1-ylethylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(2-piperazin-1-ylethylamino)benzenecarbonitrile Openeye Name: 3-nitro-4-(2-piperazin-1-ylethylamino)benzonitrile CAS Name: 3-nitro-4-[2-(1-piperazinyl)ethylamino]benzonitrile IUPAC Name: 3-nitro-4-(2-piperazin-1-ylethylamino)benzonitrile Traditional Name: 3-nitro-4-(2-piperazinoethylamino)benzonitrile Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O2/c14-10-11-1-2-12(13(9-11)18(19)20)16-5-8-17-6-3-15-4-7-17/h1-2,9,15-16H,3-8H2