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

Systemtic Name: N-(3-acetamido-2-methyl-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(3-acetamido-2-methyl-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(3-acetamido-2-methylphenyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(3-acetamido-2-methylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(3-acetamido-2-methyl-phenyl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-14-17(22-15(2)27)5-4-6-18(14)23-21(28)16-7-8-19(20(13-16)26(29)30)25-11-9-24(3)10-12-25/h4-8,13H,9-12H2,1-3H3,(H,22,27)(H,23,28)