dimethyl 7-bromanyl-5-oxidanylidene-3,4-dihydro-1H-1,3,4-benzotriazepine-2,2-dicarboxylate

Systemtic Name: dimethyl 7-bromanyl-5-oxidanylidene-3,4-dihydro-1H-1,3,4-benzotriazepine-2,2-dicarboxylate Openeye Name: dimethyl 7-bromo-5-oxo-3,4-dihydro-1H-1,3,4-benzotriazepine-2,2-dicarboxylate CAS Name: 7-bromo-5-oxo-3,4-dihydro-1H-1,3,4-benzotriazepine-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-bromo-5-oxo-3,4-dihydro-1H-1,3,4-benzotriazepine-2,2-dicarboxylate Traditional Name: 7-bromo-5-keto-3,4-dihydro-1H-1,3,4-benzotriazepine-2,2-dicarboxylic acid dimethyl ester Formula: C12H12BrN3O5 MolecularWeight: 358.14478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(NC2=C(C=C(C=C2)Br)C(=O)NN1)C(=O)OC

Isomeric SMILES

COC(=O)C1(NC2=C(C=C(C=C2)Br)C(=O)NN1)C(=O)OC

InChI

InChI=1S/C12H12BrN3O5/c1-20-10(18)12(11(19)21-2)14-8-4-3-6(13)5-7(8)9(17)15-16-12/h3-5,14,16H,1-2H3,(H,15,17)