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

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-benzoate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-benzoate CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitrobenzoate Traditional Name: 2-(homoveratrylamino)-5-nitro-benzoic acid methyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)OC

InChI

InChI=1S/C18H20N2O6/c1-24-16-7-4-12(10-17(16)25-2)8-9-19-15-6-5-13(20(22)23)11-14(15)18(21)26-3/h4-7,10-11,19H,8-9H2,1-3H3