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

Systemtic Name: 4-[[ethyl-(phenylmethyl)azaniumyl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[benzyl(ethyl)ammonio]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[ethyl-(phenylmethyl)ammonio]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[benzyl(ethyl)azaniumyl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[benzyl(ethyl)ammonio]methyl]-2-methoxy-6-nitro-phenolate Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-3-18(11-13-7-5-4-6-8-13)12-14-9-15(19(21)22)17(20)16(10-14)23-2/h4-10,20H,3,11-12H2,1-2H3