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

Systemtic Name: N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[4-(3-methoxyphenyl)piperazino]ethyl]-3-nitro-benzamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-29-18-7-3-5-16(13-18)22-8-10-23(11-9-22)19(25)14-21-20(26)15-4-2-6-17(12-15)24(27)28/h2-7,12-13H,8-11,14H2,1H3,(H,21,26)