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

Systemtic Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-(homoveratrylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

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