diethyl 2-[(2-ethoxycarbonyl-5-nitro-phenyl)amino]-2-ethylsulfanyl-propanedioate

Systemtic Name: diethyl 2-[(2-ethoxycarbonyl-5-nitro-phenyl)amino]-2-ethylsulfanyl-propanedioate Openeye Name: diethyl 2-(2-ethoxycarbonyl-5-nitro-anilino)-2-ethylsulfanyl-propanedioate CAS Name: 2-(2-ethoxycarbonyl-5-nitroanilino)-2-(ethylthio)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-ethoxycarbonyl-5-nitroanilino)-2-ethylsulfanylpropanedioate Traditional Name: 2-(2-carbethoxy-5-nitro-anilino)-2-(ethylthio)malonic acid diethyl ester Formula: C18H24N2O8S MolecularWeight: 428.45676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])NC(C(=O)OCC)(C(=O)OCC)SCC

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])NC(C(=O)OCC)(C(=O)OCC)SCC

InChI

InChI=1S/C18H24N2O8S/c1-5-26-15(21)13-10-9-12(20(24)25)11-14(13)19-18(29-8-4,16(22)27-6-2)17(23)28-7-3/h9-11,19H,5-8H2,1-4H3