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

Systemtic Name: 2-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2-bromo-4-nitroanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2-bromo-4-nitro-anilino)-2-keto-ethyl]thio]nicotinic acid Formula: C14H10BrN3O5S MolecularWeight: 412.2153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrN3O5S/c15-10-6-8(18(22)23)3-4-11(10)17-12(19)7-24-13-9(14(20)21)2-1-5-16-13/h1-6H,7H2,(H,17,19)(H,20,21)