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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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