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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C25H17BrClNO4 MolecularWeight: 510.76378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H17BrClNO4/c1-28-23(25(31)32-14-21(29)15-6-10-17(26)11-7-15)22(16-8-12-18(27)13-9-16)19-4-2-3-5-20(19)24(28)30/h2-13H,14H2,1H3