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

Systemtic Name: 2-[[ethyl-(phenylmethyl)azaniumyl]methyl]-4-nitro-phenolate Openeye Name: 2-[[benzyl(ethyl)ammonio]methyl]-4-nitro-phenolate CAS Name: 2-[[ethyl-(phenylmethyl)ammonio]methyl]-4-nitrophenolate IUPAC Name: 2-[[benzyl(ethyl)azaniumyl]methyl]-4-nitrophenolate Traditional Name: 2-[[benzyl(ethyl)ammonio]methyl]-4-nitro-phenolate Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-2-17(11-13-6-4-3-5-7-13)12-14-10-15(18(20)21)8-9-16(14)19/h3-10,19H,2,11-12H2,1H3