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

Systemtic Name: ethyl 4-[[(3E)-3-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate Openeye Name: ethyl 4-[[(3E)-3-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate CAS Name: 4-[[(3E)-3-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3E)-3-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate Traditional Name: 4-[[(3E)-3-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-pyrazolin-4-yl]oxy]benzoic acid ethyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-2-24-18(23)11-3-6-13(7-4-11)25-16-10-19-20-17(16)14-8-5-12(21)9-15(14)22/h3-10,19-20,22H,2H2,1H3/b17-14+