5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]-2-nitro-phenolate Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]-2-nitro-phenolate CAS Name: 5-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamoyl]-2-nitrophenolate Traditional Name: 5-[homoveratryl(methyl)carbamoyl]-2-nitro-phenolate Formula: C18H19N2O6- MolecularWeight: 359.35326

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

InChI

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