(phenylmethyl) 4-nitropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 4-nitropyridine-3-carboxylate Openeye Name: benzyl 4-nitropyridine-3-carboxylate CAS Name: 4-nitro-3-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-nitropyridine-3-carboxylate Traditional Name: 4-nitronicotinic acid benzyl ester Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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