(4-nitrophenyl)methyl pyridine-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl pyridine-3-carboxylate Openeye Name: (4-nitrophenyl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (4-nitrobenzyl) ester Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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