2-[[(2,4-dimethoxyphenyl)methyl-methyl-azaniumyl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2,4-dimethoxyphenyl)methyl-methyl-azaniumyl]methyl]-4-nitro-phenolate Openeye Name: 2-[[(2,4-dimethoxyphenyl)methyl-methyl-ammonio]methyl]-4-nitro-phenolate CAS Name: 2-[[(2,4-dimethoxyphenyl)methyl-methylammonio]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2,4-dimethoxyphenyl)methyl-methylazaniumyl]methyl]-4-nitrophenolate Traditional Name: 2-[[(2,4-dimethoxybenzyl)-methyl-ammonio]methyl]-4-nitro-phenolate Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=C(C=C1)OC)OC)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C[NH+](CC1=C(C=C(C=C1)OC)OC)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H20N2O5/c1-18(10-12-4-6-15(23-2)9-17(12)24-3)11-13-8-14(19(21)22)5-7-16(13)20/h4-9,20H,10-11H2,1-3H3