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

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-4-(4-acetylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(4-acetamido-3-methylphenyl)-4-(4-acetyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-4-(4-acetylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-4-(4-acetylpiperazino)-3-nitro-benzamide Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5/c1-14-12-18(5-6-19(14)23-15(2)28)24-22(30)17-4-7-20(21(13-17)27(31)32)26-10-8-25(9-11-26)16(3)29/h4-7,12-13H,8-11H2,1-3H3,(H,23,28)(H,24,30)