2-butyl-1,3-dihydroisoindole; 2,4,6-trinitrophenol

Systemtic Name: 2-butyl-1,3-dihydroisoindole; 2,4,6-trinitrophenol Openeye Name: 2-butylisoindoline; picric acid CAS Name: 2-butyl-1,3-dihydroisoindole; 2,4,6-trinitrophenol IUPAC Name: 2-butyl-1,3-dihydroisoindole; 2,4,6-trinitrophenol Traditional Name: 2-butylisoindoline; picric acid Formula: C18H20N4O7 MolecularWeight: 404.374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=CC=CC=C2C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCN1CC2=CC=CC=C2C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17N.C6H3N3O7/c1-2-3-8-13-9-11-6-4-5-7-12(11)10-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,2-3,8-10H2,1H3;1-2,10H