tert-butyl (NE)-N-(2,2-diethyl-4-oxidanyl-1,3-dihydropyrrolo[3,4-b]quinoxalin-2-ium-6-ylidene)carbamate

Systemtic Name: tert-butyl (NE)-N-(2,2-diethyl-4-oxidanyl-1,3-dihydropyrrolo[3,4-b]quinoxalin-2-ium-6-ylidene)carbamate Openeye Name: tert-butyl (NE)-N-(2,2-diethyl-4-hydroxy-1,3-dihydropyrrolo[3,4-b]quinoxalin-2-ium-6-ylidene)carbamate CAS Name: (NE)-N-(2,2-diethyl-4-hydroxy-1,3-dihydropyrrolo[3,4-b]quinoxalin-2-ium-6-ylidene)carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-(2,2-diethyl-4-hydroxy-1,3-dihydropyrrolo[3,4-b]quinoxalin-2-ium-6-ylidene)carbamate Traditional Name: (NE)-N-(2,2-diethyl-4-hydroxy-1,3-dihydropyrrolo[3,4-b]quinoxalin-2-ium-6-ylidene)carbamic acid tert-butyl ester Formula: C19H27N4O3+ MolecularWeight: 359.44268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC2=C(C1)N(C3=CC(=NC(=O)OC(C)(C)C)C=CC3=N2)O)CC

Isomeric SMILES

CC[N+]1(CC2=C(C1)N(C3=C/C(=N/C(=O)OC(C)(C)C)/C=CC3=N2)O)CC

InChI

InChI=1S/C19H27N4O3/c1-6-23(7-2)11-15-17(12-23)22(25)16-10-13(8-9-14(16)21-15)20-18(24)26-19(3,4)5/h8-10,25H,6-7,11-12H2,1-5H3/q+1/b20-13+