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

Systemtic Name: N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-[4-(o-tolyl)piperazin-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[2-[4-(2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[4-(o-tolyl)piperazino]ethyl]-3-nitro-benzamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-15-5-2-3-8-18(15)22-9-11-23(12-10-22)19(25)14-21-20(26)16-6-4-7-17(13-16)24(27)28/h2-8,13H,9-12,14H2,1H3,(H,21,26)