3-[[4-(4-ethanoylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-N,2-dimethyl-benzamide

Systemtic Name: 3-[[4-(4-ethanoylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-N,2-dimethyl-benzamide Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)-3-nitro-benzoyl]amino]-N,2-dimethyl-benzamide CAS Name: 3-[[[4-(4-acetyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]-N,2-dimethylbenzamide IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-3-nitrobenzoyl]amino]-N,2-dimethylbenzamide Traditional Name: 3-[[4-(4-acetylpiperazino)-3-nitro-benzoyl]amino]-N,2-dimethyl-benzamide Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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