3-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid

Systemtic Name: 3-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid Openeye Name: 3-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid CAS Name: 3-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)benzoic acid IUPAC Name: 3-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid Traditional Name: 3-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid Formula: C18H11N5O2 MolecularWeight: 329.31224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC=CC(=C4)C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC=CC(=C4)C(=O)O)N)C#N

InChI

InChI=1S/C18H11N5O2/c19-9-12-15-17(22-14-7-2-1-6-13(14)21-15)23(16(12)20)11-5-3-4-10(8-11)18(24)25/h1-8H,20H2,(H,24,25)