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

Systemtic Name: 3-[2-azaniumyl-3-(2-methylpropoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Openeye Name: 3-(2-azaniumyl-3-isobutoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)phenolate CAS Name: 3-[2-ammonio-3-[2-methylpropoxy(oxo)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]phenolate IUPAC Name: 3-[2-azaniumyl-3-(2-methylpropoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Traditional Name: 3-(2-ammonio-3-isobutoxycarbonyl-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)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)[O-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3/c1-12(2)11-28-21(27)17-18-20(24-16-9-4-3-8-15(16)23-18)25(19(17)22)13-6-5-7-14(26)10-13/h3-10,12,26H,11,22H2,1-2H3