(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: (1,3-diketo-5-nitro-isoindolin-2-yl)methyl-(4,5-dimethoxy-2-methyl-benzyl)-methyl-ammonium Formula: C20H22N3O6+ MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H21N3O6/c1-12-7-17(28-3)18(29-4)8-13(12)10-21(2)11-22-19(24)15-6-5-14(23(26)27)9-16(15)20(22)25/h5-9H,10-11H2,1-4H3/p+1