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

Systemtic Name: 4-methyl-2-[4-(3-methylbutoxy)-3-nitro-phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(4-isopentyloxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[4-(3-methylbutoxy)-3-nitrophenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[4-(3-methylbutoxy)-3-nitrophenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-isoamoxy-3-nitro-phenyl)-4-methyl-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)OCCC(C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/c1-9(2)6-7-23-13-5-4-11(8-12(13)18(21)22)15-17-10(3)14(24-15)16(19)20/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)