4-(4-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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