2-(4-methoxy-2-nitro-phenyl)-3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(4-methoxy-2-nitro-phenyl)-3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(4-methoxy-2-nitro-phenyl)-3-(4-methylpiperazin-1-yl)-3-oxo-propanenitrile CAS Name: 2-(4-methoxy-2-nitrophenyl)-3-(4-methyl-1-piperazinyl)-3-oxopropanenitrile IUPAC Name: 2-(4-methoxy-2-nitrophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile Traditional Name: 3-keto-2-(4-methoxy-2-nitro-phenyl)-3-(4-methylpiperazino)propionitrile Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4/c1-17-5-7-18(8-6-17)15(20)13(10-16)12-4-3-11(23-2)9-14(12)19(21)22/h3-4,9,13H,5-8H2,1-2H3