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

Systemtic Name: tert-butyl 5-ethoxy-6-methyl-4,7-bis(oxidanylidene)-1H-1,2-diazepine-3-carboxylate Openeye Name: tert-butyl 5-ethoxy-6-methyl-4,7-dioxo-1H-diazepine-3-carboxylate CAS Name: 5-ethoxy-6-methyl-4,7-dioxo-1H-diazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-ethoxy-6-methyl-4,7-dioxo-1H-diazepine-3-carboxylate Traditional Name: 5-ethoxy-4,7-diketo-6-methyl-1H-diazepine-3-carboxylic acid tert-butyl ester Formula: C13H18N2O5 MolecularWeight: 282.29242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)NN=C(C1=O)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC1=C(C(=O)NN=C(C1=O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C13H18N2O5/c1-6-19-10-7(2)11(17)15-14-8(9(10)16)12(18)20-13(3,4)5/h6H2,1-5H3,(H,15,17)