3-[4-(4-methanoyl-2-nitro-phenyl)piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-methanoyl-2-nitro-phenyl)piperazin-1-yl]propanenitrile Openeye Name: 3-[4-(4-formyl-2-nitro-phenyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-(4-formyl-2-nitrophenyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(4-formyl-2-nitrophenyl)piperazin-1-yl]propanenitrile Traditional Name: 3-[4-(4-formyl-2-nitro-phenyl)piperazino]propionitrile Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3/c15-4-1-5-16-6-8-17(9-7-16)13-3-2-12(11-19)10-14(13)18(20)21/h2-3,10-11H,1,5-9H2