[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-(difluoromethoxy)-3-ethoxy-phenyl]methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-(difluoromethoxy)-3-ethoxyphenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-3-ethoxyphenyl]methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-(difluoromethoxy)-3-ethoxy-benzyl] ester Formula: C20H18F2N2O5 MolecularWeight: 404.364126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OC(F)F

InChI

InChI=1S/C20H18F2N2O5/c1-3-27-16-10-12(8-9-15(16)29-20(21)22)11-28-19(26)17-13-6-4-5-7-14(13)18(25)24(2)23-17/h4-10,20H,3,11H2,1-2H3