pyridin-3-ylmethyl 3-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CN=CC=C2

InChI

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