2-(4-bromanyl-2-methyl-phenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(4-bromo-2-methyl-phenyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(4-bromo-2-methylphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(4-bromo-2-methylphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(4-bromo-2-methyl-phenyl)-4H-isoquinoline-1,3-quinone Formula: C16H12BrNO2 MolecularWeight: 330.17598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12BrNO2/c1-10-8-12(17)6-7-14(10)18-15(19)9-11-4-2-3-5-13(11)16(18)20/h2-8H,9H2,1H3