3,4-dihydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: 3,4-dihydroisoquinoline; picric acid CAS Name: 3,4-dihydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: 3,4-dihydroisoquinoline; picric acid Formula: C15H12N4O7 MolecularWeight: 360.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=CC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN=CC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N.C6H3N3O7/c1-2-4-9-7-10-6-5-8(9)3-1;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4,7H,5-6H2;1-2,10H