1-(6-chloranyl-1-phenyl-pyrazolo[3,4-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol

Systemtic Name: 1-(6-chloranyl-1-phenyl-pyrazolo[3,4-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol Openeye Name: 1-(6-chloro-1-phenyl-pyrazolo[3,4-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol CAS Name: 1-(6-chloro-1-phenyl-3-pyrazolo[3,4-b]quinoxalinyl)butane-1,2,3,4-tetrol IUPAC Name: 1-(6-chloro-1-phenylpyrazolo[3,4-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol Traditional Name: 1-(6-chloro-1-phenyl-pyrazolo[3,4-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC4=C(C=C(C=C4)Cl)N=C3C(=N2)C(C(C(CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC4=C(C=C(C=C4)Cl)N=C3C(=N2)C(C(C(CO)O)O)O

InChI

InChI=1S/C19H17ClN4O4/c20-10-6-7-12-13(8-10)21-16-15(18(28)17(27)14(26)9-25)23-24(19(16)22-12)11-4-2-1-3-5-11/h1-8,14,17-18,25-28H,9H2