3-nitro-4-(3-piperazin-1-ylpropylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(3-piperazin-1-ylpropylamino)benzenecarbonitrile Openeye Name: 3-nitro-4-(3-piperazin-1-ylpropylamino)benzonitrile CAS Name: 3-nitro-4-[3-(1-piperazinyl)propylamino]benzonitrile IUPAC Name: 3-nitro-4-(3-piperazin-1-ylpropylamino)benzonitrile Traditional Name: 3-nitro-4-(3-piperazinopropylamino)benzonitrile Formula: C14H19N5O2 MolecularWeight: 289.33296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)CCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O2/c15-11-12-2-3-13(14(10-12)19(20)21)17-4-1-7-18-8-5-16-6-9-18/h2-3,10,16-17H,1,4-9H2