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

Systemtic Name: 3-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H14BrN3O4 MolecularWeight: 416.22546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Br

InChI

InChI=1S/C18H14BrN3O4/c1-10-8-11(6-7-14(10)19)20-15(23)9-22-17(24)13-5-3-2-4-12(13)16(21-22)18(25)26/h2-8H,9H2,1H3,(H,20,23)(H,25,26)