(2,3,6-trimethylphenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2,3,6-trimethylphenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (2,3,6-trimethylphenyl) ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N2O6/c1-11-7-8-12(2)18(13(11)3)28-16(23)9-10-21-19(24)14-5-4-6-15(22(26)27)17(14)20(21)25/h4-8H,9-10H2,1-3H3