3-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-4-bromanyl-3,4-dihydro-1H-azepine-2,5-dione

Systemtic Name: 3-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-4-bromanyl-3,4-dihydro-1H-azepine-2,5-dione Openeye Name: 4-bromo-3-[(3,5-dibromo-4-methoxy-phenyl)methyl]-3,4-dihydro-1H-azepine-2,5-dione CAS Name: 4-bromo-3-[(3,5-dibromo-4-methoxyphenyl)methyl]-3,4-dihydro-1H-azepine-2,5-dione IUPAC Name: 4-bromo-3-[(3,5-dibromo-4-methoxyphenyl)methyl]-3,4-dihydro-1H-azepine-2,5-dione Traditional Name: 4-bromo-3-(3,5-dibromo-4-methoxy-benzyl)-3,4-dihydro-1H-azepine-2,5-quinone Formula: C14H12Br3NO3 MolecularWeight: 481.96198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CC2C(C(=O)C=CNC2=O)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CC2C(C(=O)C=CNC2=O)Br)Br

InChI

InChI=1S/C14H12Br3NO3/c1-21-13-9(15)5-7(6-10(13)16)4-8-12(17)11(19)2-3-18-14(8)20/h2-3,5-6,8,12H,4H2,1H3,(H,18,20)