5-[4-(2-methylpropoxy)-3-nitro-phenyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-(2-methylpropoxy)-3-nitro-phenyl]thiophene-2-carboxylic acid Openeye Name: 5-(4-isobutoxy-3-nitro-phenyl)thiophene-2-carboxylic acid CAS Name: 5-[4-(2-methylpropoxy)-3-nitrophenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(2-methylpropoxy)-3-nitrophenyl]thiophene-2-carboxylic acid Traditional Name: 5-(4-isobutoxy-3-nitro-phenyl)-2-thenoic acid Formula: C15H15NO5S MolecularWeight: 321.3483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO5S/c1-9(2)8-21-12-4-3-10(7-11(12)16(19)20)13-5-6-14(22-13)15(17)18/h3-7,9H,8H2,1-2H3,(H,17,18)