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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(2-chlorophenyl)methyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(2-chlorobenzyl)-N-methyl-3-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O4/c1-15(27)24-9-11-25(12-10-24)19-8-7-16(13-20(19)26(29)30)21(28)23(2)14-17-5-3-4-6-18(17)22/h3-8,13H,9-12,14H2,1-2H3