4-[[6-azanyl-3-[bis(oxidanyl)methylidene]-7-oxidanyl-2H-isoquinolin-1-yl]carbonyl]cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-[[6-azanyl-3-[bis(oxidanyl)methylidene]-7-oxidanyl-2H-isoquinolin-1-yl]carbonyl]cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-[6-amino-3-(dihydroxymethylene)-7-hydroxy-2H-isoquinoline-1-carbonyl]-1,2-benzoquinone CAS Name: 4-[[6-amino-3-(dihydroxymethylidene)-7-hydroxy-2H-isoquinolin-1-yl]-oxomethyl]cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-[6-amino-3-(dihydroxymethylidene)-7-hydroxy-2H-isoquinoline-1-carbonyl]cyclohexa-3,5-diene-1,2-dione Traditional Name: 4-[6-amino-3-(dihydroxymethylene)-7-hydroxy-2H-isoquinoline-1-carbonyl]-o-benzoquinone Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=O)C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C(O)O)N2)N)O

Isomeric SMILES

C1=CC(=O)C(=O)C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C(O)O)N2)N)O

InChI

InChI=1S/C17H12N2O6/c18-10-3-8-4-11(17(24)25)19-15(9(8)6-13(10)21)16(23)7-1-2-12(20)14(22)5-7/h1-6,19,21,24-25H,18H2