N,N-diethylcyclohex-2-en-1-amine; 2,4,6-trinitrophenol

Systemtic Name: N,N-diethylcyclohex-2-en-1-amine; 2,4,6-trinitrophenol Openeye Name: N,N-diethylcyclohex-2-en-1-amine; picric acid CAS Name: N,N-diethyl-1-cyclohex-2-enamine; 2,4,6-trinitrophenol IUPAC Name: N,N-diethylcyclohex-2-en-1-amine; 2,4,6-trinitrophenol Traditional Name: cyclohex-2-en-1-yl(diethyl)amine; picric acid Formula: C16H22N4O7 MolecularWeight: 382.36848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CCCC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1CCCC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H19N.C6H3N3O7/c1-3-11(4-2)10-8-6-5-7-9-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6,8,10H,3-5,7,9H2,1-2H3;1-2,10H