2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(4-nitroanilino)ethyl]thio]nicotinic acid Formula: C14H11N3O5S MolecularWeight: 333.31924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11N3O5S/c18-12(16-9-3-5-10(6-4-9)17(21)22)8-23-13-11(14(19)20)2-1-7-15-13/h1-7H,8H2,(H,16,18)(H,19,20)