N-(3-ethanoylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-ethanoylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(3-acetylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(3-acetylphenyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(3-acetylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(3-acetylphenyl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-14(25)15-4-3-5-17(12-15)21-20(26)16-6-7-18(19(13-16)24(27)28)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,26)