O3-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester O1-methyl ester Formula: C19H15N3O7S MolecularWeight: 429.4033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C19H15N3O7S/c1-28-18(24)12-8-13(10-14(9-12)22(26)27)19(25)29-11-17(23)21-15-4-2-3-5-16(15)30-7-6-20/h2-5,8-10H,7,11H2,1H3,(H,21,23)