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

Systemtic Name: 2-methoxy-6-nitro-4-(pyrrolidin-1-ium-1-ylmethyl)phenolate Openeye Name: 2-methoxy-6-nitro-4-(pyrrolidin-1-ium-1-ylmethyl)phenolate CAS Name: 2-methoxy-6-nitro-4-(1-pyrrolidin-1-iumylmethyl)phenolate IUPAC Name: 2-methoxy-6-nitro-4-(pyrrolidin-1-ium-1-ylmethyl)phenolate Traditional Name: 2-methoxy-6-nitro-4-(pyrrolidin-1-ium-1-ylmethyl)phenolate Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCCC2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCCC2

InChI

InChI=1S/C12H16N2O4/c1-18-11-7-9(8-13-4-2-3-5-13)6-10(12(11)15)14(16)17/h6-7,15H,2-5,8H2,1H3