3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine; 2,4,6-trinitrophenol

Systemtic Name: 3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine; 2,4,6-trinitrophenol Openeye Name: picric acid; 3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine CAS Name: 3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine; 2,4,6-trinitrophenol IUPAC Name: 3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine; 2,4,6-trinitrophenol Traditional Name: anatabine; picric acid Formula: C16H15N5O7 MolecularWeight: 389.3196

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCNC1C2=CN=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C=CCNC1C2=CN=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H12N2.C6H3N3O7/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4,6,8,10,12H,5,7H2;1-2,10H