(3-bromophenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (3-bromophenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (3-bromophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (3-bromobenzyl) ester Formula: C16H11BrN2O3 MolecularWeight: 359.17414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H11BrN2O3/c17-11-5-3-4-10(8-11)9-22-16(21)14-12-6-1-2-7-13(12)15(20)19-18-14/h1-8H,9H2,(H,19,20)