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

Systemtic Name: 3-acetamido-N-[[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methylideneamino]benzamide Openeye Name: 3-acetamido-N-[[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methyleneamino]benzamide CAS Name: 3-acetamido-N-[[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]methylideneamino]benzamide IUPAC Name: 3-acetamido-N-[[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylideneamino]benzamide Traditional Name: 3-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=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

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

InChI

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