[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C17H11BrN2O4 MolecularWeight: 387.18424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrN2O4/c18-11-5-3-4-10(8-11)14(21)9-24-17(23)15-12-6-1-2-7-13(12)16(22)20-19-15/h1-8H,9H2,(H,20,22)