(2,2,4-trimethyl-1H-quinolin-6-yl) 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester IUPAC Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C1C=C(C=C2)OC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CC(NC2=C1C=C(C=C2)OC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])(C)C

InChI

InChI=1S/C22H19N3O6/c1-12-10-22(2,3)23-16-8-7-13(9-15(12)16)31-18(26)11-24-20(27)14-5-4-6-17(25(29)30)19(14)21(24)28/h4-10,23H,11H2,1-3H3