4-[[2-hydroxyethyl-(phenylmethyl)azaniumyl]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[2-hydroxyethyl-(phenylmethyl)azaniumyl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[benzyl(2-hydroxyethyl)ammonio]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[2-hydroxyethyl-(phenylmethyl)ammonio]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[benzyl(2-hydroxyethyl)azaniumyl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[benzyl(2-hydroxyethyl)ammonio]methyl]-2-methoxy-6-nitro-phenolate Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+](CCO)CC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+](CCO)CC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O5/c1-24-16-10-14(9-15(17(16)21)19(22)23)12-18(7-8-20)11-13-5-3-2-4-6-13/h2-6,9-10,20-21H,7-8,11-12H2,1H3