1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine; 2,4,6-trinitrophenol

Systemtic Name: 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine; 2,4,6-trinitrophenol Openeye Name: picric acid; 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine CAS Name: 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine; 2,4,6-trinitrophenol IUPAC Name: 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine; 2,4,6-trinitrophenol Traditional Name: picric acid; 1,2,3,4-tetrahydroisoquinolin-1-ylmethylamine Formula: C16H17N5O7 MolecularWeight: 391.33548

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)CN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CNC(C2=CC=CC=C21)CN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H14N2.C6H3N3O7/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4,10,12H,5-7,11H2;1-2,10H