3-[2-azaniumyl-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate

Systemtic Name: 3-[2-azaniumyl-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Openeye Name: 3-(2-azaniumyl-3-tert-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)phenolate CAS Name: 3-[2-ammonio-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]phenolate IUPAC Name: 3-[2-azaniumyl-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Traditional Name: 3-(2-ammonio-3-tert-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)phenolate Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)[O-])[NH3+]

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)[O-])[NH3+]

InChI

InChI=1S/C21H20N4O3/c1-21(2,3)28-20(27)16-17-19(24-15-10-5-4-9-14(15)23-17)25(18(16)22)12-7-6-8-13(26)11-12/h4-11,26H,22H2,1-3H3