(2-bromanyl-4-methyl-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-bromo-4-methyl-phenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2-bromo-4-methyl-phenyl) ester Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)Br

InChI

InChI=1S/C17H13BrN2O3/c1-10-7-8-14(13(18)9-10)23-17(22)15-11-5-3-4-6-12(11)16(21)20(2)19-15/h3-9H,1-2H3