ethyl 3-pyridin-2-ylpropanoate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 3-pyridin-2-ylpropanoate; 2,4,6-trinitrophenol Openeye Name: ethyl 3-(2-pyridyl)propanoate; picric acid CAS Name: 3-(2-pyridinyl)propanoic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 3-pyridin-2-ylpropanoate; 2,4,6-trinitrophenol Traditional Name: picric acid; 3-(2-pyridyl)propionic acid ethyl ester Formula: C16H16N4O9 MolecularWeight: 408.31964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=CC=N1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC1=CC=CC=N1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13NO2.C6H3N3O7/c1-2-13-10(12)7-6-9-5-3-4-8-11-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5,8H,2,6-7H2,1H3;1-2,10H