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

Systemtic Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-(homoveratrylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)OC

InChI

InChI=1S/C19H20N2O7/c1-26-16-5-4-12(8-17(16)27-2)6-7-20-18(22)13-9-14(19(23)28-3)11-15(10-13)21(24)25/h4-5,8-11H,6-7H2,1-3H3,(H,20,22)