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

Systemtic Name: methyl 3-pyridin-4-ylpropanoate; 2,4,6-trinitrophenol Openeye Name: methyl 3-(4-pyridyl)propanoate; picric acid CAS Name: 3-pyridin-4-ylpropanoic acid methyl ester; 2,4,6-trinitrophenol IUPAC Name: methyl 3-pyridin-4-ylpropanoate; 2,4,6-trinitrophenol Traditional Name: picric acid; 3-(4-pyridyl)propionic acid methyl ester Formula: C15H14N4O9 MolecularWeight: 394.29306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=NC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC1=CC=NC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H11NO2.C6H3N3O7/c1-12-9(11)3-2-8-4-6-10-7-5-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,2-3H2,1H3;1-2,10H