6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium CAS Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium Formula: C19H16N6O4 MolecularWeight: 392.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=N[N-]3)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=N[N-]3)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H16N6O4/c1-11-8-13-9-16(28-2)17(29-3)10-15(13)18(24(11)19-20-22-23-21-19)12-4-6-14(7-5-12)25(26)27/h4-10H,1-3H3