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

Systemtic Name: O3-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-O-ethyl 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-ethyl ester Formula: C17H13N3O7S MolecularWeight: 403.36602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O7S/c1-2-26-16(22)11-5-12(7-13(6-11)20(24)25)17(23)27-9-14(21)19-15-10(8-18)3-4-28-15/h3-7H,2,9H2,1H3,(H,19,21)