O1-ethyl O3-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-4-14-6-8-17(9-7-14)22-19(24)13(3)30-21(26)16-10-15(20(25)29-5-2)11-18(12-16)23(27)28/h6-13H,4-5H2,1-3H3,(H,22,24)