4-acetamido-N-[[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methylideneamino]benzamide

Systemtic Name: 4-acetamido-N-[[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methylideneamino]benzamide Openeye Name: 4-acetamido-N-[[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methyleneamino]benzamide CAS Name: 4-acetamido-N-[[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]methylideneamino]benzamide IUPAC Name: 4-acetamido-N-[[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylideneamino]benzamide Traditional Name: 4-acetamido-N-[[2-(4-methylpiperazino)-5-nitro-benzylidene]amino]benzamide Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C21H24N6O4/c1-15(28)23-18-5-3-16(4-6-18)21(29)24-22-14-17-13-19(27(30)31)7-8-20(17)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)(H,24,29)