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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2.C6H3N3O7/c1-14(18(2)3)16(21)19-11-9-17(13-20,10-12-19)15-7-5-4-6-8-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8,13-14H,9-12H2,1-3H3;1-2,10H/t14-;/m0./s1