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

Systemtic Name: 4-[[2-hydroxyethyl(propyl)azaniumyl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[2-hydroxyethyl(propyl)ammonio]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[2-hydroxyethyl(propyl)ammonio]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[2-hydroxyethyl(propyl)azaniumyl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[2-hydroxyethyl(propyl)ammonio]methyl]-2-methoxy-6-nitro-phenolate Formula: C13H20N2O5 MolecularWeight: 284.3083

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCO)CC1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC[NH+](CCO)CC1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O5/c1-3-4-14(5-6-16)9-10-7-11(15(18)19)13(17)12(8-10)20-2/h7-8,16-17H,3-6,9H2,1-2H3