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

Systemtic Name: (2,5-dimethylphenyl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (2,5-dimethylphenyl)methyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (2,5-dimethylbenzyl) ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6/c1-11-6-7-12(2)13(8-11)10-27-16(22)9-20-18(23)14-4-3-5-15(21(25)26)17(14)19(20)24/h3-8H,9-10H2,1-2H3