4-chloranyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[2-[4-(o-tolyl)piperazin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 4-chloro-N-[2-[4-(2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-keto-2-[4-(o-tolyl)piperazino]ethyl]-3-nitro-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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