3-(azocan-1-ium-1-ylmethyl)-4-nitro-phenolate

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)-4-nitro-phenolate Openeye Name: 3-(azocan-1-ium-1-ylmethyl)-4-nitro-phenolate CAS Name: 3-(1-azocan-1-iumylmethyl)-4-nitrophenolate IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)-4-nitrophenolate Traditional Name: 3-(azocan-1-ium-1-ylmethyl)-4-nitro-phenolate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=C(C=CC(=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=C(C=CC(=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O3/c17-13-6-7-14(16(18)19)12(10-13)11-15-8-4-2-1-3-5-9-15/h6-7,10,17H,1-5,8-9,11H2