(2-tert-butyl-4-methyl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-13-8-9-17(15(12-13)22(2,3)4)30-18(25)10-11-23-20(26)14-6-5-7-16(24(28)29)19(14)21(23)27/h5-9,12H,10-11H2,1-4H3