4-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)-2-oxidanyl-benzoate

Systemtic Name: 4-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)-2-oxidanyl-benzoate Openeye Name: 4-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)-2-hydroxy-benzoate CAS Name: 4-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)-2-hydroxybenzoate IUPAC Name: 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-2-hydroxybenzoate Traditional Name: 4-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)-2-hydroxy-benzoate Formula: C18H10N5O3- MolecularWeight: 344.3037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11N5O3/c19-8-11-15-17(22-13-4-2-1-3-12(13)21-15)23(16(11)20)9-5-6-10(18(25)26)14(24)7-9/h1-7,24H,20H2,(H,25,26)/p-1