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

Systemtic Name: 4-methyl-2-(3-nitro-4-propan-2-yloxy-phenyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(4-isopropoxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-(3-nitro-4-propan-2-yloxyphenyl)-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-(3-nitro-4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-isopropoxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5S/c1-7(2)21-11-5-4-9(6-10(11)16(19)20)13-15-8(3)12(22-13)14(17)18/h4-7H,1-3H3,(H,17,18)