3-[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H12F2N2O4 MolecularWeight: 358.295686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)F)F)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)C1=CC(=C(C=C1)F)F)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H12F2N2O4/c1-9(16(23)10-6-7-13(19)14(20)8-10)22-17(24)12-5-3-2-4-11(12)15(21-22)18(25)26/h2-9H,1H3,(H,25,26)