N-(4-acetamidophenyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-acetamidophenyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(4-acetamidophenyl)-4-(4-acetylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(4-acetamidophenyl)-4-(4-acetyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(4-acetamidophenyl)-4-(4-acetylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-acetamidophenyl)-4-(4-acetylpiperazino)-3-nitro-benzamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5/c1-14(27)22-17-4-6-18(7-5-17)23-21(29)16-3-8-19(20(13-16)26(30)31)25-11-9-24(10-12-25)15(2)28/h3-8,13H,9-12H2,1-2H3,(H,22,27)(H,23,29)