3,4-bis(ethoxycarbonyl)-5-nitro-6-phenyl-pyridine-2-sulfonic acid

Systemtic Name: 3,4-bis(ethoxycarbonyl)-5-nitro-6-phenyl-pyridine-2-sulfonic acid Openeye Name: 3,4-bis(ethoxycarbonyl)-5-nitro-6-phenyl-pyridine-2-sulfonic acid CAS Name: 3,4-bis(ethoxycarbonyl)-5-nitro-6-phenyl-2-pyridinesulfonic acid IUPAC Name: 3,4-bis(ethoxycarbonyl)-5-nitro-6-phenylpyridine-2-sulfonic acid Traditional Name: 3,4-dicarbethoxy-5-nitro-6-phenyl-pyridine-2-sulfonic acid Formula: C17H16N2O9S MolecularWeight: 424.38194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=C1[N+](=O)[O-])C2=CC=CC=C2)S(=O)(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=C1[N+](=O)[O-])C2=CC=CC=C2)S(=O)(=O)O)C(=O)OCC

InChI

InChI=1S/C17H16N2O9S/c1-3-27-16(20)11-12(17(21)28-4-2)15(29(24,25)26)18-13(14(11)19(22)23)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,24,25,26)