3-(4-ethoxycarbonyl-5-methyl-pyrazol-1-yl)benzoic acid

Systemtic Name: 3-(4-ethoxycarbonyl-5-methyl-pyrazol-1-yl)benzoic acid Openeye Name: 3-(4-ethoxycarbonyl-5-methyl-pyrazol-1-yl)benzoic acid CAS Name: 3-(4-ethoxycarbonyl-5-methyl-1-pyrazolyl)benzoic acid IUPAC Name: 3-(4-ethoxycarbonyl-5-methylpyrazol-1-yl)benzoic acid Traditional Name: 3-(4-carbethoxy-5-methyl-pyrazol-1-yl)benzoic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C14H14N2O4/c1-3-20-14(19)12-8-15-16(9(12)2)11-6-4-5-10(7-11)13(17)18/h4-8H,3H2,1-2H3,(H,17,18)