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

Systemtic Name: 2-[4-(2,2-dimethylpropoxy)-3-nitro-phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[4-(2,2-dimethylpropoxy)-3-nitro-phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[4-(2,2-dimethylpropoxy)-3-nitrophenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[4-(2,2-dimethylpropoxy)-3-nitrophenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-(4-neopentyloxy-3-nitro-phenyl)thiazole-5-carboxylic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/c1-9-13(15(19)20)24-14(17-9)10-5-6-12(11(7-10)18(21)22)23-8-16(2,3)4/h5-7H,8H2,1-4H3,(H,19,20)