2-(4-ethanoyl-2-nitro-phenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-ethanoyl-2-nitro-phenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(4-acetyl-2-nitro-phenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(4-acetyl-2-nitrophenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-acetyl-2-nitrophenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(4-acetyl-2-nitro-phenyl)thio]nicotinic acid Formula: C14H10N2O5S MolecularWeight: 318.3046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O5S/c1-8(17)9-4-5-12(11(7-9)16(20)21)22-13-10(14(18)19)3-2-6-15-13/h2-7H,1H3,(H,18,19)