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

Systemtic Name: 3-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H13BrFN3O4 MolecularWeight: 434.215923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H13BrFN3O4/c1-9(16(24)21-14-7-6-10(19)8-13(14)20)23-17(25)12-5-3-2-4-11(12)15(22-23)18(26)27/h2-9H,1H3,(H,21,24)(H,26,27)