4-[2-(2-ethoxy-2-oxidanylidene-ethyl)-5-nitro-3-sulfanyl-phenyl]-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[2-(2-ethoxy-2-oxidanylidene-ethyl)-5-nitro-3-sulfanyl-phenyl]-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-(2-ethoxy-2-oxo-ethyl)-5-nitro-3-sulfanyl-phenyl]-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 4-[2-(2-ethoxy-2-oxoethyl)-3-mercapto-5-nitrophenyl]-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-[2-(2-ethoxy-2-oxoethyl)-5-nitro-3-sulfanylphenyl]-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-(2-ethoxy-2-keto-ethyl)-3-mercapto-5-nitro-phenyl]-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=C(C=C1C2C(=C(N(C(=C2C(=O)O)C)C)C)C(=O)O)[N+](=O)[O-])S

Isomeric SMILES

CCOC(=O)CC1=C(C=C(C=C1C2C(=C(N(C(=C2C(=O)O)C)C)C)C(=O)O)[N+](=O)[O-])S

InChI

InChI=1S/C20H22N2O8S/c1-5-30-15(23)8-12-13(6-11(22(28)29)7-14(12)31)18-16(19(24)25)9(2)21(4)10(3)17(18)20(26)27/h6-7,18,31H,5,8H2,1-4H3,(H,24,25)(H,26,27)