8-(2-azaniumyl-3-ethoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylate

Systemtic Name: 8-(2-azaniumyl-3-ethoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylate Openeye Name: 8-(2-azaniumyl-3-ethoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylate CAS Name: 8-(2-ammonio-3-ethoxycarbonyl-1-pyrrolo[3,2-b]quinoxalinyl)-2-quinolinecarboxylate IUPAC Name: 8-(2-azaniumyl-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylate Traditional Name: 8-(2-ammonio-3-carbethoxy-pyrrolo[3,2-b]quinoxalin-1-yl)quinaldate Formula: C23H17N5O4 MolecularWeight: 427.41218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC5=C4N=C(C=C5)C(=O)[O-])[NH3+]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC5=C4N=C(C=C5)C(=O)[O-])[NH3+]

InChI

InChI=1S/C23H17N5O4/c1-2-32-23(31)17-19-21(27-14-8-4-3-7-13(14)25-19)28(20(17)24)16-9-5-6-12-10-11-15(22(29)30)26-18(12)16/h3-11H,2,24H2,1H3,(H,29,30)