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

Systemtic Name: O3-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 1-O-methyl 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-methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-12-5-6-15(7-13(12)2)14(3)22-19(24)11-30-21(26)17-8-16(20(25)29-4)9-18(10-17)23(27)28/h5-10,14H,11H2,1-4H3,(H,22,24)