N-ethyl-N-methyl-3-morpholin-4-yl-3-phenyl-propan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: N-ethyl-N-methyl-3-morpholin-4-yl-3-phenyl-propan-1-amine; 2,4,6-trinitrophenol Openeye Name: N-ethyl-N-methyl-3-morpholino-3-phenyl-propan-1-amine; picric acid CAS Name: N-ethyl-N-methyl-3-(4-morpholinyl)-3-phenyl-1-propanamine; 2,4,6-trinitrophenol IUPAC Name: N-ethyl-N-methyl-3-morpholin-4-yl-3-phenylpropan-1-amine; 2,4,6-trinitrophenol Traditional Name: ethyl-methyl-(3-morpholino-3-phenyl-propyl)amine; picric acid Formula: C28H32N8O15 MolecularWeight: 720.59828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CCC(C1=CC=CC=C1)N2CCOCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(C)CCC(C1=CC=CC=C1)N2CCOCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H26N2O.2C6H3N3O7/c1-3-17(2)10-9-16(15-7-5-4-6-8-15)18-11-13-19-14-12-18;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8,16H,3,9-14H2,1-2H3;2*1-2,10H