ethyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate; 2,4,6-trinitrophenol Openeye Name: ethyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate; picric acid CAS Name: 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate; 2,4,6-trinitrophenol Traditional Name: 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid ethyl ester; picric acid Formula: C17H20N4O9 MolecularWeight: 424.3621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC2CCC1N2C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CCC2CCC1N2C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H17NO2.C6H3N3O7/c1-3-14-11(13)9-6-4-8-5-7-10(9)12(8)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6,8,10H,3-5,7H2,1-2H3;1-2,10H