ethyl 3-oxidanylidene-2-pyridin-4-yl-propanoate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 3-oxidanylidene-2-pyridin-4-yl-propanoate; 2,4,6-trinitrophenol Openeye Name: ethyl 3-oxo-2-(4-pyridyl)propanoate; picric acid CAS Name: 3-oxo-2-pyridin-4-ylpropanoic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 3-oxo-2-pyridin-4-ylpropanoate; 2,4,6-trinitrophenol Traditional Name: 3-keto-2-(4-pyridyl)propionic acid ethyl ester; picric acid Formula: C16H14N4O10 MolecularWeight: 422.30316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO3.C6H3N3O7/c1-2-14-10(13)9(7-12)8-3-5-11-6-4-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7,9H,2H2,1H3;1-2,10H