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

Systemtic Name: N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(4-acetylpiperazino)-3-chloro-phenyl]-2-methyl-3-nitro-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C20H21ClN4O4/c1-13-16(4-3-5-18(13)25(28)29)20(27)22-15-6-7-19(17(21)12-15)24-10-8-23(9-11-24)14(2)26/h3-7,12H,8-11H2,1-2H3,(H,22,27)