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

Systemtic Name: N-[3-(benzotriazol-1-yl)butyl]aniline; 2,4,6-trinitrophenol Openeye Name: N-[3-(benzotriazol-1-yl)butyl]aniline; picric acid CAS Name: N-[3-(1-benzotriazolyl)butyl]aniline; 2,4,6-trinitrophenol IUPAC Name: N-[3-(benzotriazol-1-yl)butyl]aniline; 2,4,6-trinitrophenol Traditional Name: 3-(benzotriazol-1-yl)butyl-phenyl-amine; picric acid Formula: C22H21N7O7 MolecularWeight: 495.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=CC=CC=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=CC=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/C16H18N4.C6H3N3O7/c1-13(11-12-17-14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)18-19-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10,13,17H,11-12H2,1H3;1-2,10H