2-(2,4-dinitrophenyl)-6,7-dimethoxy-isoquinolin-2-ium

Systemtic Name: 2-(2,4-dinitrophenyl)-6,7-dimethoxy-isoquinolin-2-ium Openeye Name: 2-(2,4-dinitrophenyl)-6,7-dimethoxy-isoquinolin-2-ium CAS Name: 2-(2,4-dinitrophenyl)-6,7-dimethoxyisoquinolin-2-ium IUPAC Name: 2-(2,4-dinitrophenyl)-6,7-dimethoxyisoquinolin-2-ium Traditional Name: 2-(2,4-dinitrophenyl)-6,7-dimethoxy-isoquinolin-2-ium Formula: C17H14N3O6+ MolecularWeight: 356.30956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[N+](C=CC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C=[N+](C=CC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H14N3O6/c1-25-16-7-11-5-6-18(10-12(11)8-17(16)26-2)14-4-3-13(19(21)22)9-15(14)20(23)24/h3-10H,1-2H3/q+1