(4-acetamidophenyl) 3-(nitrooxymethyl)pyridine-2-carboxylate

Systemtic Name: (4-acetamidophenyl) 3-(nitrooxymethyl)pyridine-2-carboxylate Openeye Name: (4-acetamidophenyl) 3-(nitrooxymethyl)pyridine-2-carboxylate CAS Name: 3-(nitrooxymethyl)-2-pyridinecarboxylic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-(nitrooxymethyl)pyridine-2-carboxylate Traditional Name: 3-(nitrooxymethyl)picolinic acid (4-acetamidophenyl) ester Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C=CC=N2)CO[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C=CC=N2)CO[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6/c1-10(19)17-12-4-6-13(7-5-12)24-15(20)14-11(3-2-8-16-14)9-23-18(21)22/h2-8H,9H2,1H3,(H,17,19)