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

Systemtic Name: 3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H11BrFN3O4 MolecularWeight: 420.189343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=C(C=C3)Br)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=C(C=C3)Br)F)C(=O)O

InChI

InChI=1S/C17H11BrFN3O4/c18-9-5-6-13(12(19)7-9)20-14(23)8-22-16(24)11-4-2-1-3-10(11)15(21-22)17(25)26/h1-7H,8H2,(H,20,23)(H,25,26)