4-(4-ethanoylpiperazin-1-yl)-N-(4-methyl-2-oxidanyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-(4-methyl-2-oxidanyl-phenyl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(2-hydroxy-4-methyl-phenyl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(2-hydroxy-4-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(2-hydroxy-4-methylphenyl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(2-hydroxy-4-methyl-phenyl)-3-nitro-benzamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c1-13-3-5-16(19(26)11-13)21-20(27)15-4-6-17(18(12-15)24(28)29)23-9-7-22(8-10-23)14(2)25/h3-6,11-12,26H,7-10H2,1-2H3,(H,21,27)