2,5-dimethyl-1,3-dihydroisoindole; 2,4,6-trinitrophenol

Systemtic Name: 2,5-dimethyl-1,3-dihydroisoindole; 2,4,6-trinitrophenol Openeye Name: 2,5-dimethylisoindoline; picric acid CAS Name: 2,5-dimethyl-1,3-dihydroisoindole; 2,4,6-trinitrophenol IUPAC Name: 2,5-dimethyl-1,3-dihydroisoindole; 2,4,6-trinitrophenol Traditional Name: 2,5-dimethylisoindoline; picric acid Formula: C16H16N4O7 MolecularWeight: 376.32084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CN(C2)C)C=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(CN(C2)C)C=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13N.C6H3N3O7/c1-8-3-4-9-6-11(2)7-10(9)5-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5H,6-7H2,1-2H3;1-2,10H