4-[3-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanidyl-pyrazol-1-yl]benzoate

Systemtic Name: 4-[3-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanidyl-pyrazol-1-yl]benzoate Openeye Name: 4-[3-(2-methoxy-2-oxo-ethyl)-5-oxido-pyrazol-1-yl]benzoate CAS Name: 4-[3-(2-methoxy-2-oxoethyl)-5-oxido-1-pyrazolyl]benzoate IUPAC Name: 4-[3-(2-methoxy-2-oxoethyl)-5-oxidopyrazol-1-yl]benzoate Traditional Name: 4-[3-(2-keto-2-methoxy-ethyl)-5-oxido-pyrazol-1-yl]benzoate Formula: C13H10N2O5-2 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=C1)[O-])C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

COC(=O)CC1=NN(C(=C1)[O-])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/h2-6,16H,7H2,1H3,(H,18,19)/p-2