tert-butyl 6-butyl-5-ethoxy-4,7-bis(oxidanylidene)-1H-1,2-diazepine-3-carboxylate

Systemtic Name: tert-butyl 6-butyl-5-ethoxy-4,7-bis(oxidanylidene)-1H-1,2-diazepine-3-carboxylate Openeye Name: tert-butyl 6-butyl-5-ethoxy-4,7-dioxo-1H-diazepine-3-carboxylate CAS Name: 6-butyl-5-ethoxy-4,7-dioxo-1H-diazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-butyl-5-ethoxy-4,7-dioxo-1H-diazepine-3-carboxylate Traditional Name: 6-butyl-5-ethoxy-4,7-diketo-1H-diazepine-3-carboxylic acid tert-butyl ester Formula: C16H24N2O5 MolecularWeight: 324.37216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(=NNC1=O)C(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCCCC1=C(C(=O)C(=NNC1=O)C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C16H24N2O5/c1-6-8-9-10-13(22-7-2)12(19)11(17-18-14(10)20)15(21)23-16(3,4)5/h6-9H2,1-5H3,(H,18,20)