(4-bromophenyl)methyl 2-(5-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboperoxoate

Systemtic Name: (4-bromophenyl)methyl 2-(5-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboperoxoate Openeye Name: (4-bromophenyl)methyl 2-(5-methylindolin-1-yl)pyrimidine-5-carboperoxoate CAS Name: 2-(5-methyl-2,3-dihydroindol-1-yl)-5-pyrimidinecarboperoxoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(5-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboperoxoate Traditional Name: 2-(5-methylindolin-1-yl)pyrimidine-5-carboperoxoic acid (4-bromobenzyl) ester Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC2)C3=NC=C(C=N3)C(=O)OOCC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC2)C3=NC=C(C=N3)C(=O)OOCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O3/c1-14-2-7-19-16(10-14)8-9-25(19)21-23-11-17(12-24-21)20(26)28-27-13-15-3-5-18(22)6-4-15/h2-7,10-12H,8-9,13H2,1H3