(3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-methoxy-4-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-methoxy-4-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-methoxy-4-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-methoxy-4-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(2-methoxy-4-nitro-phenyl)isoindoline-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H20N2O8/c1-22(2,3)18(25)11-32-21(28)12-5-7-14-15(9-12)20(27)23(19(14)26)16-8-6-13(24(29)30)10-17(16)31-4/h5-10H,11H2,1-4H3