ethyl 4-[[5-(1,3-benzodioxol-5-ylcarbonylamino)-2-fluoranyl-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-(1,3-benzodioxol-5-ylcarbonylamino)-2-fluoranyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[5-(1,3-benzodioxole-5-carbonylamino)-2-fluoro-anilino]-4-oxo-butanoate CAS Name: 4-[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-fluoroanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[5-(1,3-benzodioxole-5-carbonylamino)-2-fluoroanilino]-4-oxobutanoate Traditional Name: 4-[2-fluoro-5-(piperonyloylamino)anilino]-4-keto-butyric acid ethyl ester Formula: C20H19FN2O6 MolecularWeight: 402.373063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)F

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)F

InChI

InChI=1S/C20H19FN2O6/c1-2-27-19(25)8-7-18(24)23-15-10-13(4-5-14(15)21)22-20(26)12-3-6-16-17(9-12)29-11-28-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,26)(H,23,24)