2-(4-ethoxy-3-nitro-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(4-ethoxy-3-nitro-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(4-ethoxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(4-ethoxy-3-nitrophenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(4-ethoxy-3-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-ethoxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c1-3-20-10-5-4-8(6-9(10)15(18)19)12-14-7(2)11(21-12)13(16)17/h4-6H,3H2,1-2H3,(H,16,17)