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

Systemtic Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[homoveratryl(methyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-21(8-7-13-5-6-17(27-2)18(9-13)28-3)19(23)14-10-15(20(24)29-4)12-16(11-14)22(25)26/h5-6,9-12H,7-8H2,1-4H3