propan-2-yl 3-pyridin-3-ylpropanoate; 2,4,6-trinitrophenol

Systemtic Name: propan-2-yl 3-pyridin-3-ylpropanoate; 2,4,6-trinitrophenol Openeye Name: isopropyl 3-(3-pyridyl)propanoate; picric acid CAS Name: 3-(3-pyridinyl)propanoic acid propan-2-yl ester; 2,4,6-trinitrophenol IUPAC Name: propan-2-yl 3-pyridin-3-ylpropanoate; 2,4,6-trinitrophenol Traditional Name: picric acid; 3-(3-pyridyl)propionic acid isopropyl ester Formula: C17H18N4O9 MolecularWeight: 422.34622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=CN=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CCC1=CN=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15NO2.C6H3N3O7/c1-9(2)14-11(13)6-5-10-4-3-7-12-8-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,7-9H,5-6H2,1-2H3;1-2,10H