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

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H18N2O8/c1-11-7-15(28-2)16(29-3)8-12(11)10-30-17(23)9-21-19(24)13-5-4-6-14(22(26)27)18(13)20(21)25/h4-8H,9-10H2,1-3H3