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

Systemtic Name: N-[3-(benzotriazol-1-yl)butyl]-4-chloranyl-aniline; 2,4,6-trinitrophenol Openeye Name: N-[3-(benzotriazol-1-yl)butyl]-4-chloro-aniline; picric acid CAS Name: N-[3-(1-benzotriazolyl)butyl]-4-chloroaniline; 2,4,6-trinitrophenol IUPAC Name: N-[3-(benzotriazol-1-yl)butyl]-4-chloroaniline; 2,4,6-trinitrophenol Traditional Name: 3-(benzotriazol-1-yl)butyl-(4-chlorophenyl)amine; picric acid Formula: C22H20ClN7O7 MolecularWeight: 529.8899

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H17ClN4.C6H3N3O7/c1-12(10-11-18-14-8-6-13(17)7-9-14)21-16-5-3-2-4-15(16)19-20-21;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-9,12,18H,10-11H2,1H3;1-2,10H