2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-4-nitro-phenolate

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-4-nitro-phenolate Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-4-nitro-phenolate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-4-nitrophenolate IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-4-nitrophenolate Traditional Name: 2-(homoveratrylcarbamoyl)-4-nitro-phenolate Formula: C17H17N2O6- MolecularWeight: 345.32668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6/c1-24-15-6-3-11(9-16(15)25-2)7-8-18-17(21)13-10-12(19(22)23)4-5-14(13)20/h3-6,9-10,20H,7-8H2,1-2H3,(H,18,21)/p-1