2-(5-azido-1H-indol-3-yl)-5-(3-iodanyl-4-methoxy-phenyl)-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(5-azido-1H-indol-3-yl)-5-(3-iodanyl-4-methoxy-phenyl)-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(5-azido-1H-indol-3-yl)-3,6-dihydroxy-5-(3-iodo-4-methoxy-phenyl)-1,4-benzoquinone CAS Name: 2-(5-azido-1H-indol-3-yl)-3,6-dihydroxy-5-(3-iodo-4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(5-azido-1H-indol-3-yl)-3,6-dihydroxy-5-(3-iodo-4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(5-azido-1H-indol-3-yl)-3,6-dihydroxy-5-(3-iodo-4-methoxy-phenyl)-p-benzoquinone Formula: C21H13IN4O5 MolecularWeight: 528.25619

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CNC4=C3C=C(C=C4)N=[N+]=[N-])O)I

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CNC4=C3C=C(C=C4)N=[N+]=[N-])O)I

InChI

InChI=1S/C21H13IN4O5/c1-31-15-5-2-9(6-13(15)22)16-18(27)20(29)17(21(30)19(16)28)12-8-24-14-4-3-10(25-26-23)7-11(12)14/h2-8,24,27,30H,1H3