2-[[cyclopropylmethyl(propyl)azaniumyl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[cyclopropylmethyl(propyl)azaniumyl]methyl]-4-nitro-phenolate Openeye Name: 2-[[cyclopropylmethyl(propyl)ammonio]methyl]-4-nitro-phenolate CAS Name: 2-[[cyclopropylmethyl(propyl)ammonio]methyl]-4-nitrophenolate IUPAC Name: 2-[[cyclopropylmethyl(propyl)azaniumyl]methyl]-4-nitrophenolate Traditional Name: 2-[[cyclopropylmethyl(propyl)ammonio]methyl]-4-nitro-phenolate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC[NH+](CC1CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H20N2O3/c1-2-7-15(9-11-3-4-11)10-12-8-13(16(18)19)5-6-14(12)17/h5-6,8,11,17H,2-4,7,9-10H2,1H3