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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=CC=NC=C1)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=NC=C1)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(6-11-17-13-7-9-16-10-8-13)20-15-5-3-2-4-14(15)18-19-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5,7-10,12H,6,11H2,1H3,(H,16,17);1-2,10H