7-methyl-5-(4-nitrophenyl)-6-(2H-1,2,3,4-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Systemtic Name: 7-methyl-5-(4-nitrophenyl)-6-(2H-1,2,3,4-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Openeye Name: 7-methyl-5-(4-nitrophenyl)-6-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium CAS Name: 7-methyl-5-(4-nitrophenyl)-6-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium IUPAC Name: 7-methyl-5-(4-nitrophenyl)-6-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Traditional Name: 7-methyl-5-(4-nitrophenyl)-6-(2H-tetrazol-5-yl)-[1,3]dioxol[4,5-g]isoquinolin-6-ium Formula: C18H13N6O4+ MolecularWeight: 377.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C=C2C(=[N+]1C4=NNN=N4)C5=CC=C(C=C5)[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=CC2=CC3=C(C=C2C(=[N+]1C4=NNN=N4)C5=CC=C(C=C5)[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H13N6O4/c1-10-6-12-7-15-16(28-9-27-15)8-14(12)17(23(10)18-19-21-22-20-18)11-2-4-13(5-3-11)24(25)26/h2-8H,9H2,1H3,(H,19,20,21,22)/q+1