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

Systemtic Name: 2-methyl-5-[4-(2-methylpropoxy)-3-nitro-phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-(4-isobutoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 2-methyl-5-[4-(2-methylpropoxy)-3-nitrophenyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-5-[4-(2-methylpropoxy)-3-nitrophenyl]pyrazole-3-carboxylic acid Traditional Name: 5-(4-isobutoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5/c1-9(2)8-23-14-5-4-10(6-12(14)18(21)22)11-7-13(15(19)20)17(3)16-11/h4-7,9H,8H2,1-3H3,(H,19,20)