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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(3-chlorophenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(3-chlorobenzyl)-3-nitro-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4/c1-14(26)23-7-9-24(10-8-23)18-6-5-16(12-19(18)25(28)29)20(27)22-13-15-3-2-4-17(21)11-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,27)