1-[3-(dimethylamino)propanoyl]-4-phenyl-piperidine-4-carbaldehyde; 2,4,6-trinitrophenol

Systemtic Name: 1-[3-(dimethylamino)propanoyl]-4-phenyl-piperidine-4-carbaldehyde; 2,4,6-trinitrophenol Openeye Name: 1-[3-(dimethylamino)propanoyl]-4-phenyl-piperidine-4-carbaldehyde; picric acid CAS Name: 1-[3-(dimethylamino)-1-oxopropyl]-4-phenyl-4-piperidinecarboxaldehyde; 2,4,6-trinitrophenol IUPAC Name: 1-[3-(dimethylamino)propanoyl]-4-phenylpiperidine-4-carbaldehyde; 2,4,6-trinitrophenol Traditional Name: 1-[3-(dimethylamino)propanoyl]-4-phenyl-isonipecotaldehyde; picric acid Formula: C23H27N5O9 MolecularWeight: 517.48858

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)N1CCC(CC1)(C=O)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC(=O)N1CCC(CC1)(C=O)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O2.C6H3N3O7/c1-18(2)11-8-16(21)19-12-9-17(14-20,10-13-19)15-6-4-3-5-7-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7,14H,8-13H2,1-2H3;1-2,10H