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

Systemtic Name: 3-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C18H13BrN3O4- MolecularWeight: 415.21752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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