4-[[cyclopropylmethyl(propyl)azaniumyl]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[cyclopropylmethyl(propyl)azaniumyl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[cyclopropylmethyl(propyl)ammonio]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[cyclopropylmethyl(propyl)ammonio]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[cyclopropylmethyl(propyl)azaniumyl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[cyclopropylmethyl(propyl)ammonio]methyl]-2-methoxy-6-nitro-phenolate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-3-6-16(9-11-4-5-11)10-12-7-13(17(19)20)15(18)14(8-12)21-2/h7-8,11,18H,3-6,9-10H2,1-2H3