4-(azocan-1-ium-1-ylmethyl)-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-(azocan-1-ium-1-ylmethyl)-2-methoxy-6-nitro-phenolate Openeye Name: 4-(azocan-1-ium-1-ylmethyl)-2-methoxy-6-nitro-phenolate CAS Name: 4-(1-azocan-1-iumylmethyl)-2-methoxy-6-nitrophenolate IUPAC Name: 4-(azocan-1-ium-1-ylmethyl)-2-methoxy-6-nitrophenolate Traditional Name: 4-(azocan-1-ium-1-ylmethyl)-2-methoxy-6-nitro-phenolate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCCCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCCCCCC2

InChI

InChI=1S/C15H22N2O4/c1-21-14-10-12(9-13(15(14)18)17(19)20)11-16-7-5-3-2-4-6-8-16/h9-10,18H,2-8,11H2,1H3