2-methoxy-4-[[methyl(2-pyridin-2-ylethyl)azaniumyl]methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[[methyl(2-pyridin-2-ylethyl)azaniumyl]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[[methyl-[2-(2-pyridyl)ethyl]ammonio]methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[[methyl-[2-(2-pyridinyl)ethyl]ammonio]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[[methyl(2-pyridin-2-ylethyl)azaniumyl]methyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[[methyl-[2-(2-pyridyl)ethyl]ammonio]methyl]-6-nitro-phenolate Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-18(8-6-13-5-3-4-7-17-13)11-12-9-14(19(21)22)16(20)15(10-12)23-2/h3-5,7,9-10,20H,6,8,11H2,1-2H3