1-(phenylmethyl)isoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 1-(phenylmethyl)isoquinoline; 2,4,6-trinitrophenol Openeye Name: 1-benzylisoquinoline; picric acid CAS Name: 1-(phenylmethyl)isoquinoline; 2,4,6-trinitrophenol IUPAC Name: 1-benzylisoquinoline; 2,4,6-trinitrophenol Traditional Name: 1-benzylisoquinoline; picric acid Formula: C22H16N4O7 MolecularWeight: 448.38504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N.C6H3N3O7/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-11H,12H2;1-2,10H