O3-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl] ester O1-ethyl ester IUPAC Name: 3-O-[(5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl] ester O1-ethyl ester Formula: C19H17N3O8S MolecularWeight: 447.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O8S/c1-3-28-17(23)10-5-11(7-12(6-10)22(26)27)18(24)30-9-14-13(8-20)16(21)31-15(14)19(25)29-4-2/h5-7H,3-4,9,21H2,1-2H3