N-ethyl-N-(furan-2-ylmethyl)ethanamine; 2,4,6-trinitrophenol

Systemtic Name: N-ethyl-N-(furan-2-ylmethyl)ethanamine; 2,4,6-trinitrophenol Openeye Name: N-ethyl-N-(2-furylmethyl)ethanamine; picric acid CAS Name: N-ethyl-N-(2-furanylmethyl)ethanamine; 2,4,6-trinitrophenol IUPAC Name: N-ethyl-N-(furan-2-ylmethyl)ethanamine; 2,4,6-trinitrophenol Traditional Name: diethyl(2-furfuryl)amine; picric acid Formula: C15H18N4O8 MolecularWeight: 382.32542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CO1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=CO1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H15NO.C6H3N3O7/c1-3-10(4-2)8-9-6-5-7-11-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-7H,3-4,8H2,1-2H3;1-2,10H