7-azanylidene-1-(4-bromanyl-2-methyl-phenyl)-1,4-diazepane-2,5-dione

Systemtic Name: 7-azanylidene-1-(4-bromanyl-2-methyl-phenyl)-1,4-diazepane-2,5-dione Openeye Name: 1-(4-bromo-2-methyl-phenyl)-7-imino-1,4-diazepane-2,5-dione CAS Name: 1-(4-bromo-2-methylphenyl)-7-imino-1,4-diazepane-2,5-dione IUPAC Name: 1-(4-bromo-2-methylphenyl)-7-imino-1,4-diazepane-2,5-dione Traditional Name: 1-(4-bromo-2-methyl-phenyl)-7-imino-1,4-diazepane-2,5-quinone Formula: C12H12BrN3O2 MolecularWeight: 310.14658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=N)CC(=O)NCC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=N)CC(=O)NCC2=O

InChI

InChI=1S/C12H12BrN3O2/c1-7-4-8(13)2-3-9(7)16-10(14)5-11(17)15-6-12(16)18/h2-4,14H,5-6H2,1H3,(H,15,17)