[2-nitro-4-[2-(pyridin-3-ylmethylamino)ethanoyl]phenyl] ethanoate

Systemtic Name: [2-nitro-4-[2-(pyridin-3-ylmethylamino)ethanoyl]phenyl] ethanoate Openeye Name: [2-nitro-4-[2-(3-pyridylmethylamino)acetyl]phenyl] acetate CAS Name: acetic acid [2-nitro-4-[1-oxo-2-(3-pyridinylmethylamino)ethyl]phenyl] ester IUPAC Name: [2-nitro-4-[2-(pyridin-3-ylmethylamino)acetyl]phenyl] acetate Traditional Name: acetic acid [2-nitro-4-[2-(3-pyridylmethylamino)acetyl]phenyl] ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)CNCC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)CNCC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5/c1-11(20)24-16-5-4-13(7-14(16)19(22)23)15(21)10-18-9-12-3-2-6-17-8-12/h2-8,18H,9-10H2,1H3