4-methyl-2-[4-(2-methylpropoxy)-3-nitro-phenyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[4-(2-methylpropoxy)-3-nitro-phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(4-isobutoxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[4-(2-methylpropoxy)-3-nitrophenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[4-(2-methylpropoxy)-3-nitrophenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-isobutoxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H16N2O5S/c1-8(2)7-22-12-5-4-10(6-11(12)17(20)21)14-16-9(3)13(23-14)15(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)