[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-13-6-4-5-7-14(13)8-9-21-19(23)12-29-20(24)15-10-17(27-2)18(28-3)11-16(15)22(25)26/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)