4-[5-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC(=O)CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12N2O5/c1-20-12(17)7-9-6-11(16)15(14-9)10-4-2-8(3-5-10)13(18)19/h2-6,14H,7H2,1H3,(H,18,19)