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

Systemtic Name: 2-[[ethyl(2-methylprop-2-enyl)azaniumyl]methyl]-4-nitro-phenolate Openeye Name: 2-[[ethyl(2-methylallyl)ammonio]methyl]-4-nitro-phenolate CAS Name: 2-[[ethyl(2-methylprop-2-enyl)ammonio]methyl]-4-nitrophenolate IUPAC Name: 2-[[ethyl(2-methylprop-2-enyl)azaniumyl]methyl]-4-nitrophenolate Traditional Name: 2-[[ethyl(2-methylallyl)ammonio]methyl]-4-nitro-phenolate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-4-14(8-10(2)3)9-11-7-12(15(17)18)5-6-13(11)16/h5-7,16H,2,4,8-9H2,1,3H3