[2-[[3,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[[3,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3,5-difluoroanilino)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(3,5-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-difluoroanilino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(3,5-difluoroanilino)-2-keto-ethyl] ester Formula: C18H13F2N3O4 MolecularWeight: 373.310326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC(=C3)F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C18H13F2N3O4/c1-23-17(25)14-5-3-2-4-13(14)16(22-23)18(26)27-9-15(24)21-12-7-10(19)6-11(20)8-12/h2-8H,9H2,1H3,(H,21,24)