methyl 4-[(2E)-2-(3-fluoranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate

Systemtic Name: methyl 4-[(2E)-2-(3-fluoranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate Openeye Name: methyl 4-[(2E)-2-(3-fluoro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate CAS Name: 4-[(2E)-2-(3-fluoro-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrimidin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2E)-2-(3-fluoro-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate Traditional Name: 4-[(2E)-2-(3-fluoro-4-keto-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoic acid methyl ester Formula: C18H13FN2O3 MolecularWeight: 324.305823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CNC(=C3C=CC(=O)C(=C3)F)N=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CN/C(=C\3/C=CC(=O)C(=C3)F)/N=C2

InChI

InChI=1S/C18H13FN2O3/c1-24-18(23)12-4-2-11(3-5-12)14-9-20-17(21-10-14)13-6-7-16(22)15(19)8-13/h2-10,20H,1H3/b17-13+