4-(5-chloranyl-2-nitro-phenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 4-(5-chloranyl-2-nitro-phenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 4-(5-chloro-2-nitro-phenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 4-[(5-chloro-2-nitrophenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 4-(5-chloro-2-nitrophenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 4-[(5-chloro-2-nitro-phenyl)thio]nicotinic acid Formula: C12H7ClN2O4S MolecularWeight: 310.71298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)SC2=C(C=NC=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)SC2=C(C=NC=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H7ClN2O4S/c13-7-1-2-9(15(18)19)11(5-7)20-10-3-4-14-6-8(10)12(16)17/h1-6H,(H,16,17)