4-ethyl-4-(3-methoxyphenyl)-1,3-dimethyl-piperidine; 2,4,6-trinitrophenol

Systemtic Name: 4-ethyl-4-(3-methoxyphenyl)-1,3-dimethyl-piperidine; 2,4,6-trinitrophenol Openeye Name: 4-ethyl-4-(3-methoxyphenyl)-1,3-dimethyl-piperidine; picric acid CAS Name: 4-ethyl-4-(3-methoxyphenyl)-1,3-dimethylpiperidine; 2,4,6-trinitrophenol IUPAC Name: 4-ethyl-4-(3-methoxyphenyl)-1,3-dimethylpiperidine; 2,4,6-trinitrophenol Traditional Name: 4-ethyl-4-(3-methoxyphenyl)-1,3-dimethyl-piperidine; picric acid Formula: C22H28N4O8 MolecularWeight: 476.47972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCN(CC1C)C)C2=CC(=CC=C2)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1(CCN(CC1C)C)C2=CC(=CC=C2)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H25NO.C6H3N3O7/c1-5-16(9-10-17(3)12-13(16)2)14-7-6-8-15(11-14)18-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-8,11,13H,5,9-10,12H2,1-4H3;1-2,10H