6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-pyrazol-1-id-3-yl-isoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-pyrazol-1-id-3-yl-isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-pyrazol-1-id-3-yl-isoquinolin-2-ium CAS Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(3-pyrazol-1-idyl)isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-pyrazol-1-id-3-ylisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-pyrazol-1-id-3-yl-isoquinolin-2-ium Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4/c1-13-10-15-11-18(28-2)19(29-3)12-17(15)21(24(13)20-8-9-22-23-20)14-4-6-16(7-5-14)25(26)27/h4-12H,1-3H3