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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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