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

Systemtic Name: O3-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C16H11N3O7S MolecularWeight: 389.33944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C16H11N3O7S/c1-25-15(21)10-4-11(6-12(5-10)19(23)24)16(22)26-8-13(20)18-14-9(7-17)2-3-27-14/h2-6H,8H2,1H3,(H,18,20)