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

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H13BrN2O4/c1-21-17(23)14-8-3-2-7-13(14)16(20-21)18(24)25-10-15(22)11-5-4-6-12(19)9-11/h2-9H,10H2,1H3