3-[[3-(4-methylpiperazin-1-yl)-2-nitro-phenyl]amino]propanenitrile

Systemtic Name: 3-[[3-(4-methylpiperazin-1-yl)-2-nitro-phenyl]amino]propanenitrile Openeye Name: 3-[3-(4-methylpiperazin-1-yl)-2-nitro-anilino]propanenitrile CAS Name: 3-[3-(4-methyl-1-piperazinyl)-2-nitroanilino]propanenitrile IUPAC Name: 3-[3-(4-methylpiperazin-1-yl)-2-nitroanilino]propanenitrile Traditional Name: 3-[3-(4-methylpiperazino)-2-nitro-anilino]propionitrile Formula: C14H19N5O2 MolecularWeight: 289.33296

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=CC=C2)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=CC=C2)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O2/c1-17-8-10-18(11-9-17)13-5-2-4-12(14(13)19(20)21)16-7-3-6-15/h2,4-5,16H,3,7-11H2,1H3