2-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-(4,5-dimethoxy-2-methyl-benzyl)-5-nitro-isoindoline-1,3-quinone Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H16N2O6/c1-10-6-15(25-2)16(26-3)7-11(10)9-19-17(21)13-5-4-12(20(23)24)8-14(13)18(19)22/h4-8H,9H2,1-3H3