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

Systemtic Name: O1-ethyl O3-[2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[1-(4-ethylphenyl)ethylamino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[1-(4-ethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O7/c1-4-15-6-8-16(9-7-15)14(3)23-20(25)13-31-22(27)18-10-17(21(26)30-5-2)11-19(12-18)24(28)29/h6-12,14H,4-5,13H2,1-3H3,(H,23,25)