ethyl 8-azanyl-2-ethoxy-6-oxidanylidene-2,3-dihydro-1H-pyrrolo[3,4-b][1,4]diazepine-4-carboxylate

Systemtic Name: ethyl 8-azanyl-2-ethoxy-6-oxidanylidene-2,3-dihydro-1H-pyrrolo[3,4-b][1,4]diazepine-4-carboxylate Openeye Name: ethyl 8-amino-2-ethoxy-6-oxo-2,3-dihydro-1H-pyrrolo[3,4-b][1,4]diazepine-4-carboxylate CAS Name: 8-amino-2-ethoxy-6-oxo-2,3-dihydro-1H-pyrrolo[3,4-b][1,4]diazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 8-amino-2-ethoxy-6-oxo-2,3-dihydro-1H-pyrrolo[3,4-b][1,4]diazepine-4-carboxylate Traditional Name: 8-amino-2-ethoxy-6-keto-2,3-dihydro-1H-pyrrolo[3,4-b][1,4]diazepine-4-carboxylic acid ethyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(=NC2=C(N1)C(=NC2=O)N)C(=O)OCC

Isomeric SMILES

CCOC1CC(=NC2=C(N1)C(=NC2=O)N)C(=O)OCC

InChI

InChI=1S/C12H16N4O4/c1-3-19-7-5-6(12(18)20-4-2)14-9-8(15-7)10(13)16-11(9)17/h7,15H,3-5H2,1-2H3,(H2,13,16,17)