4-[[3-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate

Systemtic Name: 4-[[3-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate Openeye Name: 4-[[3-(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate CAS Name: 4-[[3-(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate IUPAC Name: 4-[[3-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]oxy]benzoate Traditional Name: 4-[[3-(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-4-yl]oxy]benzoate Formula: C17H13N2O5- MolecularWeight: 325.29552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2C(=CNN2)OC3=CC=C(C=C3)C(=O)[O-])C=C1

Isomeric SMILES

COC1=CC(=O)C(=C2C(=CNN2)OC3=CC=C(C=C3)C(=O)[O-])C=C1

InChI

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