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

Systemtic Name: 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Openeye Name: 3-(2-azaniumyl-3-isopentyloxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)phenolate CAS Name: 3-[2-ammonio-3-[3-methylbutoxy(oxo)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]phenolate IUPAC Name: 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Traditional Name: 3-(2-ammonio-3-isoamoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)phenolate Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-13(2)10-11-29-22(28)18-19-21(25-17-9-4-3-8-16(17)24-19)26(20(18)23)14-6-5-7-15(27)12-14/h3-9,12-13,27H,10-11,23H2,1-2H3