O1-methyl O3-[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: 1-O-methyl 3-O-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-keto-2-mesidino-1-methyl-ethyl) ester O1-methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-11-6-12(2)18(13(3)7-11)22-19(24)14(4)30-21(26)16-8-15(20(25)29-5)9-17(10-16)23(27)28/h6-10,14H,1-5H3,(H,22,24)