N-[(E)-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methylideneamino]pyridine-4-carboxamide Openeye Name: N-[(E)-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methyleneamino]pyridine-4-carboxamide CAS Name: N-[(E)-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]methylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylideneamino]pyridine-4-carboxamide Traditional Name: N-[(E)-[2-(4-methylpiperazino)-5-nitro-benzylidene]amino]isonicotinamide Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=NC=C3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H20N6O3/c1-22-8-10-23(11-9-22)17-3-2-16(24(26)27)12-15(17)13-20-21-18(25)14-4-6-19-7-5-14/h2-7,12-13H,8-11H2,1H3,(H,21,25)/b20-13+