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

Systemtic Name: 3,4-bis(ethoxycarbonyl)-3-nitro-2-phenyl-2H-pyridine-6-sulfonic acid Openeye Name: 3,4-bis(ethoxycarbonyl)-3-nitro-2-phenyl-2H-pyridine-6-sulfonic acid CAS Name: 3,4-bis(ethoxycarbonyl)-3-nitro-2-phenyl-2H-pyridine-6-sulfonic acid IUPAC Name: 3,4-bis(ethoxycarbonyl)-3-nitro-2-phenyl-2H-pyridine-6-sulfonic acid Traditional Name: 3,4-dicarbethoxy-3-nitro-2-phenyl-2H-pyridine-6-sulfonic acid Formula: C17H18N2O9S MolecularWeight: 426.39782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O9S/c1-3-27-15(20)12-10-13(29(24,25)26)18-14(11-8-6-5-7-9-11)17(12,19(22)23)16(21)28-4-2/h5-10,14H,3-4H2,1-2H3,(H,24,25,26)