N,N-diethyl-1-phenyl-ethanamine; 2,4,6-trinitrophenol

Systemtic Name: N,N-diethyl-1-phenyl-ethanamine; 2,4,6-trinitrophenol Openeye Name: N,N-diethyl-1-phenyl-ethanamine; picric acid CAS Name: N,N-diethyl-1-phenylethanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-diethyl-1-phenylethanamine; 2,4,6-trinitrophenol Traditional Name: diethyl(1-phenylethyl)amine; picric acid Formula: C18H22N4O7 MolecularWeight: 406.38988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N.C6H3N3O7/c1-4-13(5-2)11(3)12-9-7-6-8-10-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-11H,4-5H2,1-3H3;1-2,10H