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

Systemtic Name: ethyl 3-[(3,4-dimethoxyphenyl)methyl-ethyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(3,4-dimethoxyphenyl)methyl-ethyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3,4-dimethoxyphenyl)methyl-ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(3,4-dimethoxyphenyl)methyl-ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[ethyl(veratryl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H24N2O7/c1-5-22(13-14-7-8-18(28-3)19(9-14)29-4)20(24)15-10-16(21(25)30-6-2)12-17(11-15)23(26)27/h7-12H,5-6,13H2,1-4H3