(3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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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=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7/c1-21(2,3)17(24)11-30-20(27)12-4-9-15-16(10-12)19(26)22(18(15)25)13-5-7-14(8-6-13)23(28)29/h4-10H,11H2,1-3H3