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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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