methyl 2-cyano-2-pyridin-4-yl-propanoate; 2,4,6-trinitrophenol

Systemtic Name: methyl 2-cyano-2-pyridin-4-yl-propanoate; 2,4,6-trinitrophenol Openeye Name: methyl 2-cyano-2-(4-pyridyl)propanoate; picric acid CAS Name: 2-cyano-2-pyridin-4-ylpropanoic acid methyl ester; 2,4,6-trinitrophenol IUPAC Name: methyl 2-cyano-2-pyridin-4-ylpropanoate; 2,4,6-trinitrophenol Traditional Name: 2-cyano-2-(4-pyridyl)propionic acid methyl ester; picric acid Formula: C16H13N5O9 MolecularWeight: 419.30252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O2.C6H3N3O7/c1-10(7-11,9(13)14-2)8-3-5-12-6-4-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,1-2H3;1-2,10H