[2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H18BrN3O4 MolecularWeight: 480.31072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H18BrN3O4/c1-13-10-19(14(2)27(13)16-7-5-6-15(24)11-16)20(28)12-31-23(30)21-17-8-3-4-9-18(17)22(29)26-25-21/h3-11H,12H2,1-2H3,(H,26,29)