4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine; 2,4,6-trinitrophenol

Systemtic Name: 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine; 2,4,6-trinitrophenol Openeye Name: 2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine; picric acid CAS Name: 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine; 2,4,6-trinitrophenol IUPAC Name: 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine; 2,4,6-trinitrophenol Traditional Name: 2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine; picric acid Formula: C18H22N4O7 MolecularWeight: 406.38988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(C1)CC=C)CC=C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(NC(C1)CC=C)CC=C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H19N.C6H3N3O7/c1-4-6-11-8-10(3)9-12(13-11)7-5-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,8,11-13H,1-2,6-7,9H2,3H3;1-2,10H