2-(4-nitrophenyl)carbonyl-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-(4-nitrophenyl)carbonyl-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(4-nitrobenzoyl)thiazole-4-carboxylic acid CAS Name: 2-[(4-nitrophenyl)-oxomethyl]-4-thiazolecarboxylic acid IUPAC Name: 2-(4-nitrobenzoyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(4-nitrobenzoyl)thiazole-4-carboxylic acid Formula: C11H6N2O5S MolecularWeight: 278.24074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=NC(=CS2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=NC(=CS2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H6N2O5S/c14-9(10-12-8(5-19-10)11(15)16)6-1-3-7(4-2-6)13(17)18/h1-5H,(H,15,16)