5-azanyl-3-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]azepane-2,4-dione

Systemtic Name: 5-azanyl-3-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]azepane-2,4-dione Openeye Name: 5-amino-3-[(3,5-dibromo-4-methoxy-phenyl)methyl]azepane-2,4-dione CAS Name: 5-amino-3-[(3,5-dibromo-4-methoxyphenyl)methyl]azepane-2,4-dione IUPAC Name: 5-amino-3-[(3,5-dibromo-4-methoxyphenyl)methyl]azepane-2,4-dione Traditional Name: 5-amino-3-(3,5-dibromo-4-methoxy-benzyl)azepane-2,4-quinone Formula: C14H16Br2N2O3 MolecularWeight: 420.09644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CC2C(=O)C(CCNC2=O)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CC2C(=O)C(CCNC2=O)N)Br

InChI

InChI=1S/C14H16Br2N2O3/c1-21-13-9(15)5-7(6-10(13)16)4-8-12(19)11(17)2-3-18-14(8)20/h5-6,8,11H,2-4,17H2,1H3,(H,18,20)