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

Systemtic Name: 3-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-1H-azepine-2,5-dione Openeye Name: 3-[(3,5-dibromo-4-methoxy-phenyl)methyl]-1H-azepine-2,5-dione CAS Name: 3-[(3,5-dibromo-4-methoxyphenyl)methyl]-1H-azepine-2,5-dione IUPAC Name: 3-[(3,5-dibromo-4-methoxyphenyl)methyl]-1H-azepine-2,5-dione Traditional Name: 3-(3,5-dibromo-4-methoxy-benzyl)-1H-azepine-2,5-quinone Formula: C14H11Br2NO3 MolecularWeight: 401.05004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CC2=CC(=O)C=CNC2=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CC2=CC(=O)C=CNC2=O)Br

InChI

InChI=1S/C14H11Br2NO3/c1-20-13-11(15)5-8(6-12(13)16)4-9-7-10(18)2-3-17-14(9)19/h2-3,5-7H,4H2,1H3,(H,17,19)