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

Systemtic Name: 2-[4-(2-ethylbutoxy)-3-nitro-phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[4-(2-ethylbutoxy)-3-nitro-phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[4-(2-ethylbutoxy)-3-nitrophenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[4-(2-ethylbutoxy)-3-nitrophenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[4-(2-ethylbutoxy)-3-nitro-phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)COC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5S/c1-4-11(5-2)9-24-14-7-6-12(8-13(14)19(22)23)16-18-10(3)15(25-16)17(20)21/h6-8,11H,4-5,9H2,1-3H3,(H,20,21)