pyridin-1-ium-1-ylmethyl 3-nitrobenzoate

Systemtic Name: pyridin-1-ium-1-ylmethyl 3-nitrobenzoate Openeye Name: pyridin-1-ium-1-ylmethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 1-pyridin-1-iumylmethyl ester IUPAC Name: pyridin-1-ium-1-ylmethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid pyridin-1-ium-1-ylmethyl ester Formula: C13H11N2O4+ MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N2O4/c16-13(19-10-14-7-2-1-3-8-14)11-5-4-6-12(9-11)15(17)18/h1-9H,10H2/q+1