tert-butyl (6aS,9aR,9bS)-7,9-bis(oxidanylidene)-8-phenyl-1,4,6,6a,9a,9b-hexahydropyrrolo[3,4-f][2,3]benzoxazine-2-carboxylate

Systemtic Name: tert-butyl (6aS,9aR,9bS)-7,9-bis(oxidanylidene)-8-phenyl-1,4,6,6a,9a,9b-hexahydropyrrolo[3,4-f][2,3]benzoxazine-2-carboxylate Openeye Name: tert-butyl (6aS,9aR,9bS)-7,9-dioxo-8-phenyl-1,4,6,6a,9a,9b-hexahydropyrrolo[3,4-f][2,3]benzoxazine-2-carboxylate CAS Name: (6aS,9aR,9bS)-7,9-dioxo-8-phenyl-1,4,6,6a,9a,9b-hexahydropyrrolo[3,4-f][2,3]benzoxazine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6aS,9aR,9bS)-7,9-dioxo-8-phenyl-1,4,6,6a,9a,9b-hexahydropyrrolo[3,4-f][2,3]benzoxazine-2-carboxylate Traditional Name: (6aS,9aR,9bS)-7,9-diketo-8-phenyl-1,4,6,6a,9a,9b-hexahydropyrrolo[3,4-f][2,3]benzoxazine-2-carboxylic acid tert-butyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2C3C(CC=C2CO1)C(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]2[C@@H]3[C@H](CC=C2CO1)C(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N2O5/c1-21(2,3)28-20(26)22-11-16-13(12-27-22)9-10-15-17(16)19(25)23(18(15)24)14-7-5-4-6-8-14/h4-9,15-17H,10-12H2,1-3H3/t15-,16+,17-/m0/s1