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

Systemtic Name: O1-methyl O3-[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester O1-methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-13-5-3-4-6-14(13)7-8-21-18(23)12-29-20(25)16-9-15(19(24)28-2)10-17(11-16)22(26)27/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23)