1-(4,5-dimethoxy-2-prop-2-enyl-phenyl)-N,N-dimethyl-ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 1-(4,5-dimethoxy-2-prop-2-enyl-phenyl)-N,N-dimethyl-ethanamine; 2,4,6-trinitrophenol Openeye Name: 1-(2-allyl-4,5-dimethoxy-phenyl)-N,N-dimethyl-ethanamine; picric acid CAS Name: 1-(4,5-dimethoxy-2-prop-2-enylphenyl)-N,N-dimethylethanamine; 2,4,6-trinitrophenol IUPAC Name: 1-(4,5-dimethoxy-2-prop-2-enylphenyl)-N,N-dimethylethanamine; 2,4,6-trinitrophenol Traditional Name: 1-(2-allyl-4,5-dimethoxy-phenyl)ethyl-dimethyl-amine; picric acid Formula: C21H26N4O9 MolecularWeight: 478.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1CC=C)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=CC(=C(C=C1CC=C)OC)OC)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H23NO2.C6H3N3O7/c1-7-8-12-9-14(17-5)15(18-6)10-13(12)11(2)16(3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7,9-11H,1,8H2,2-6H3;1-2,10H