N-(2-methyl-5-nitro-phenyl)-3-(4-methylpiperazin-1-yl)-2-nitro-benzamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-(4-methylpiperazin-1-yl)-2-nitro-benzamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-(4-methylpiperazin-1-yl)-2-nitro-benzamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-(4-methyl-1-piperazinyl)-2-nitrobenzamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-(4-methylpiperazin-1-yl)-2-nitrobenzamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-(4-methylpiperazino)-2-nitro-benzamide Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C(=CC=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C(=CC=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5/c1-13-6-7-14(23(26)27)12-16(13)20-19(25)15-4-3-5-17(18(15)24(28)29)22-10-8-21(2)9-11-22/h3-7,12H,8-11H2,1-2H3,(H,20,25)