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

Systemtic Name: 4-[[ethyl(2-methylprop-2-enyl)azaniumyl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[ethyl(2-methylallyl)ammonio]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[ethyl(2-methylprop-2-enyl)ammonio]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[ethyl(2-methylprop-2-enyl)azaniumyl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[ethyl(2-methylallyl)ammonio]methyl]-2-methoxy-6-nitro-phenolate Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-5-15(8-10(2)3)9-11-6-12(16(18)19)14(17)13(7-11)20-4/h6-7,17H,2,5,8-9H2,1,3-4H3