tert-butyl 2,7-bis(oxidanylidene)-4-(2-oxidanylidene-2-phenoxy-ethyl)-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylate

Systemtic Name: tert-butyl 2,7-bis(oxidanylidene)-4-(2-oxidanylidene-2-phenoxy-ethyl)-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylate Openeye Name: tert-butyl 2,7-dioxo-4-(2-oxo-2-phenoxy-ethyl)-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylate CAS Name: 2,7-dioxo-4-(2-oxo-2-phenoxyethyl)-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,7-dioxo-4-(2-oxo-2-phenoxyethyl)-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylate Traditional Name: 2,7-diketo-4-(2-keto-2-phenoxy-ethyl)-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylic acid tert-butyl ester Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=O)CN(CCC(=O)C2=CC=CC=C21)CC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)CN(CCC(=O)C2=CC=CC=C21)CC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O6/c1-24(2,3)32-23(30)26-19-12-8-7-11-18(19)20(27)13-14-25(15-21(26)28)16-22(29)31-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3