6-butyl-7-(3-nitrophenyl)-7-oxidanyl-pyrrolo[3,4-b]pyridin-5-one

Systemtic Name: 6-butyl-7-(3-nitrophenyl)-7-oxidanyl-pyrrolo[3,4-b]pyridin-5-one Openeye Name: 6-butyl-7-hydroxy-7-(3-nitrophenyl)pyrrolo[3,4-b]pyridin-5-one CAS Name: 6-butyl-7-hydroxy-7-(3-nitrophenyl)-5-pyrrolo[3,4-b]pyridinone IUPAC Name: 6-butyl-7-hydroxy-7-(3-nitrophenyl)pyrrolo[3,4-b]pyridin-5-one Traditional Name: 6-butyl-7-hydroxy-7-(3-nitrophenyl)pyrrolo[3,4-b]pyridin-5-one Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1(C3=CC(=CC=C3)[N+](=O)[O-])O)N=CC=C2

Isomeric SMILES

CCCCN1C(=O)C2=C(C1(C3=CC(=CC=C3)[N+](=O)[O-])O)N=CC=C2

InChI

InChI=1S/C17H17N3O4/c1-2-3-10-19-16(21)14-8-5-9-18-15(14)17(19,22)12-6-4-7-13(11-12)20(23)24/h4-9,11,22H,2-3,10H2,1H3