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

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C19H15ClFN3O4 MolecularWeight: 403.791503

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C19H15ClFN3O4/c1-2-24-18(26)13-6-4-3-5-12(13)17(23-24)19(27)28-10-16(25)22-15-9-11(20)7-8-14(15)21/h3-9H,2,10H2,1H3,(H,22,25)