3-(2-azaniumyl-3-methoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoate

Systemtic Name: 3-(2-azaniumyl-3-methoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoate Openeye Name: 3-(2-azaniumyl-3-methoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoate CAS Name: 3-(2-ammonio-3-methoxycarbonyl-1-pyrrolo[3,2-b]quinoxalinyl)benzoate IUPAC Name: 3-(2-azaniumyl-3-methoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)benzoate Traditional Name: 3-(2-ammonio-3-carbomethoxy-pyrrolo[3,2-b]quinoxalin-1-yl)benzoate Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O4/c1-27-19(26)14-15-17(22-13-8-3-2-7-12(13)21-15)23(16(14)20)11-6-4-5-10(9-11)18(24)25/h2-9H,20H2,1H3,(H,24,25)