[6-(3-nitrophenyl)-7-oxidanylidene-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [6-(3-nitrophenyl)-7-oxidanylidene-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate Openeye Name: [6-(3-nitrophenyl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [6-(3-nitrophenyl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] ester IUPAC Name: [6-(3-nitrophenyl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [7-keto-6-(3-nitrophenyl)-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] ester Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=CC(=CC=C4)[N+](=O)[O-])OCCS3

Isomeric SMILES

CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=CC(=CC=C4)[N+](=O)[O-])OCCS3

InChI

InChI=1S/C18H20N4O6S/c1-19-5-7-20(8-6-19)18(24)28-17-15-14(27-9-10-29-15)16(23)21(17)12-3-2-4-13(11-12)22(25)26/h2-4,11,17H,5-10H2,1H3