3,5-dimethyl-2-prop-2-enyl-pyridine; 2,4,6-trinitrophenol

Systemtic Name: 3,5-dimethyl-2-prop-2-enyl-pyridine; 2,4,6-trinitrophenol Openeye Name: 2-allyl-3,5-dimethyl-pyridine; picric acid CAS Name: 3,5-dimethyl-2-prop-2-enylpyridine; 2,4,6-trinitrophenol IUPAC Name: 3,5-dimethyl-2-prop-2-enylpyridine; 2,4,6-trinitrophenol Traditional Name: 2-allyl-3,5-dimethyl-pyridine; picric acid Formula: C16H16N4O7 MolecularWeight: 376.32084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N.C6H3N3O7/c1-4-5-10-9(3)6-8(2)7-11-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4,6-7H,1,5H2,2-3H3;1-2,10H