pyridin-2-ylmethyl 3-nitrobenzoate

Systemtic Name: pyridin-2-ylmethyl 3-nitrobenzoate Openeye Name: 2-pyridylmethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-pyridylmethyl ester Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O4/c16-13(19-9-11-5-1-2-7-14-11)10-4-3-6-12(8-10)15(17)18/h1-8H,9H2