[4-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H19FN2O6 MolecularWeight: 474.437263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H19FN2O6/c1-32-23-13-16(2-8-22(23)35-26(31)17-3-5-19(27)6-4-17)12-18(15-28)25(30)29-20-7-9-21-24(14-20)34-11-10-33-21/h2-9,12-14H,10-11H2,1H3,(H,29,30)