N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol

Systemtic Name: N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol Openeye Name: N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine; picric acid CAS Name: N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol Traditional Name: dimethyl-[2-(3,4,5-trimethoxyphenyl)ethyl]amine; picric acid Formula: C19H24N4O10 MolecularWeight: 468.41466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC(=C(C(=C1)OC)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC1=CC(=C(C(=C1)OC)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H21NO3.C6H3N3O7/c1-14(2)7-6-10-8-11(15-3)13(17-5)12(9-10)16-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-9H,6-7H2,1-5H3;1-2,10H