4-[(4-nitrophenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-nitrophenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-nitrophenyl)sulfonylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-nitrophenyl)sulfonylmethyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-nitrophenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-(nosylmethyl)thiazole-2-carboxylic acid Formula: C11H8N2O6S2 MolecularWeight: 328.32102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C11H8N2O6S2/c14-11(15)10-12-7(5-20-10)6-21(18,19)9-3-1-8(2-4-9)13(16)17/h1-5H,6H2,(H,14,15)