4-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]piperazine-1-carbonitrile

Systemtic Name: 4-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]piperazine-1-carbonitrile Openeye Name: 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]piperazine-1-carbonitrile CAS Name: 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitrophenyl]-1-piperazinecarbonitrile IUPAC Name: 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitrophenyl]piperazine-1-carbonitrile Traditional Name: 4-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]piperazine-1-carbonitrile Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=NNC(=O)C1C2=CC(=C(C=C2)N3CCN(CC3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1C=NNC(=O)C1C2=CC(=C(C=C2)N3CCN(CC3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3/c1-11-9-18-19-16(23)15(11)12-2-3-13(14(8-12)22(24)25)21-6-4-20(10-17)5-7-21/h2-3,8-9,11,15H,4-7H2,1H3,(H,19,23)