O3-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2,6-diethylanilino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2,6-diethylanilino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(2,6-diethylanilino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2,6-diethylanilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H24N2O7/c1-4-14-8-7-9-15(5-2)20(14)23-19(25)13-31-22(27)17-10-16(21(26)30-6-3)11-18(12-17)24(28)29/h7-12H,4-6,13H2,1-3H3,(H,23,25)