methyl 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-5-nitro-benzoate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-5-nitro-benzoate CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-5-nitrobenzoate Traditional Name: 2-[homoveratryl(methyl)amino]-5-nitro-benzoic acid methyl ester Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H22N2O6/c1-20(10-9-13-5-8-17(25-2)18(11-13)26-3)16-7-6-14(21(23)24)12-15(16)19(22)27-4/h5-8,11-12H,9-10H2,1-4H3