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

Systemtic Name: 4-(3-ethoxycarbonyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoic acid Openeye Name: 4-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzoic acid CAS Name: 4-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzoic acid IUPAC Name: 4-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzoic acid Traditional Name: 4-(3-carbethoxy-5-keto-2-pyrazolin-1-yl)benzoic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5/c1-2-20-13(19)10-7-11(16)15(14-10)9-5-3-8(4-6-9)12(17)18/h3-6H,2,7H2,1H3,(H,17,18)