1-[4-(2-diethylaminoethyloxy)phenyl]propan-2-amine; 2,4,6-trinitrophenol

Systemtic Name: 1-[4-(2-diethylaminoethyloxy)phenyl]propan-2-amine; 2,4,6-trinitrophenol Openeye Name: 1-[4-(2-diethylaminoethyloxy)phenyl]propan-2-amine; picric acid CAS Name: 1-[4-(2-diethylaminoethyloxy)phenyl]-2-propanamine; 2,4,6-trinitrophenol IUPAC Name: 1-[4-(2-diethylaminoethyloxy)phenyl]propan-2-amine; 2,4,6-trinitrophenol Traditional Name: 2-[4-(2-aminopropyl)phenoxy]ethyl-diethyl-amine; picric acid Formula: C27H32N8O15 MolecularWeight: 708.58758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)CC(C)N.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(CC)CCOC1=CC=C(C=C1)CC(C)N.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/C15H26N2O.2C6H3N3O7/c1-4-17(5-2)10-11-18-15-8-6-14(7-9-15)12-13(3)16;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9,13H,4-5,10-12,16H2,1-3H3;2*1-2,10H