methyl 3-[[(3Z)-3-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate

Systemtic Name: methyl 3-[[(3Z)-3-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate Openeye Name: methyl 3-[[(3Z)-3-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate CAS Name: 3-[[(3Z)-3-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3Z)-3-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate Traditional Name: 3-[[(3Z)-3-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-pyrazolin-4-yl]oxy]benzoic acid methyl ester Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2=CNNC2=C3C=CC(=O)C=C3O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC\2=CNN/C2=C\3/C=CC(=O)C=C3O

InChI

InChI=1S/C17H14N2O5/c1-23-17(22)10-3-2-4-12(7-10)24-15-9-18-19-16(15)13-6-5-11(20)8-14(13)21/h2-9,18-19,21H,1H3/b16-13-