N-[(2,4-dichlorophenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(2,4-dichlorophenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(2,4-dichlorobenzyl)-3-nitro-benzamide Formula: C20H20Cl2N4O4 MolecularWeight: 451.3032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20Cl2N4O4/c1-13(27)24-6-8-25(9-7-24)18-5-3-14(10-19(18)26(29)30)20(28)23-12-15-2-4-16(21)11-17(15)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,28)