2-[2-[[3-(4-ethoxyphenoxy)-5-nitro-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[[3-(4-ethoxyphenoxy)-5-nitro-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[3-(4-ethoxyphenoxy)-5-nitro-anilino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[3-(4-ethoxyphenoxy)-5-nitroanilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[3-(4-ethoxyphenoxy)-5-nitroanilino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[3-(4-ethoxyphenoxy)-5-nitro-anilino]-2-keto-ethyl]thio]nicotinic acid Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C22H19N3O7S/c1-2-31-16-5-7-17(8-6-16)32-18-11-14(10-15(12-18)25(29)30)24-20(26)13-33-21-19(22(27)28)4-3-9-23-21/h3-12H,2,13H2,1H3,(H,24,26)(H,27,28)