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

Systemtic Name: (3E)-3-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methylidene]azepane-2,4-dione Openeye Name: (3E)-3-[(3,5-dibromo-4-methoxy-phenyl)methylene]azepane-2,4-dione CAS Name: (3E)-3-[(3,5-dibromo-4-methoxyphenyl)methylidene]azepane-2,4-dione IUPAC Name: (3E)-3-[(3,5-dibromo-4-methoxyphenyl)methylidene]azepane-2,4-dione Traditional Name: (3E)-3-(3,5-dibromo-4-methoxy-benzylidene)azepane-2,4-quinone Formula: C14H13Br2NO3 MolecularWeight: 403.06592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C=C2C(=O)CCCNC2=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)/C=C/2\C(=O)CCCNC2=O)Br

InChI

InChI=1S/C14H13Br2NO3/c1-20-13-10(15)6-8(7-11(13)16)5-9-12(18)3-2-4-17-14(9)19/h5-7H,2-4H2,1H3,(H,17,19)/b9-5+