N-[3-(benzotriazol-1-yl)butyl]pyridin-2-amine; 2,4,6-trinitrophenol

Systemtic Name: N-[3-(benzotriazol-1-yl)butyl]pyridin-2-amine; 2,4,6-trinitrophenol Openeye Name: N-[3-(benzotriazol-1-yl)butyl]pyridin-2-amine; picric acid CAS Name: N-[3-(1-benzotriazolyl)butyl]-2-pyridinamine; 2,4,6-trinitrophenol IUPAC Name: N-[3-(benzotriazol-1-yl)butyl]pyridin-2-amine; 2,4,6-trinitrophenol Traditional Name: 3-(benzotriazol-1-yl)butyl-(2-pyridyl)amine; picric acid Formula: C21H20N8O7 MolecularWeight: 496.4329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=CC=CC=N1)N2C3=CC=CC=C3N=N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CCNC1=CC=CC=N1)N2C3=CC=CC=C3N=N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H17N5.C6H3N3O7/c1-12(9-11-17-15-8-4-5-10-16-15)20-14-7-3-2-6-13(14)18-19-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-8,10,12H,9,11H2,1H3,(H,16,17);1-2,10H