2-[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl]thio]nicotinic acid Formula: C14H9Br2N3O5S MolecularWeight: 491.11136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C(=O)O

InChI

InChI=1S/C14H9Br2N3O5S/c15-9-4-7(19(23)24)5-10(16)12(9)18-11(20)6-25-13-8(14(21)22)2-1-3-17-13/h1-5H,6H2,(H,18,20)(H,21,22)