1-(6-ethenyl-2,3,4-trimethoxy-phenyl)-N,N-dimethyl-ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 1-(6-ethenyl-2,3,4-trimethoxy-phenyl)-N,N-dimethyl-ethanamine; 2,4,6-trinitrophenol Openeye Name: N,N-dimethyl-1-(2,3,4-trimethoxy-6-vinyl-phenyl)ethanamine; picric acid CAS Name: 1-(6-ethenyl-2,3,4-trimethoxyphenyl)-N,N-dimethylethanamine; 2,4,6-trinitrophenol IUPAC Name: 1-(6-ethenyl-2,3,4-trimethoxyphenyl)-N,N-dimethylethanamine; 2,4,6-trinitrophenol Traditional Name: dimethyl-[1-(2,3,4-trimethoxy-6-vinyl-phenyl)ethyl]amine; picric acid Formula: C21H26N4O10 MolecularWeight: 494.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C=C1C=C)OC)OC)OC)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C(=C(C=C1C=C)OC)OC)OC)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H23NO3.C6H3N3O7/c1-8-11-9-12(17-5)14(18-6)15(19-7)13(11)10(2)16(3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-10H,1H2,2-7H3;1-2,10H