3-carbazol-9-yl-N,N-dimethyl-propan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: 3-carbazol-9-yl-N,N-dimethyl-propan-1-amine; 2,4,6-trinitrophenol Openeye Name: 3-carbazol-9-yl-N,N-dimethyl-propan-1-amine; picric acid CAS Name: 3-(9-carbazolyl)-N,N-dimethyl-1-propanamine; 2,4,6-trinitrophenol IUPAC Name: 3-carbazol-9-yl-N,N-dimethylpropan-1-amine; 2,4,6-trinitrophenol Traditional Name: 3-carbazol-9-ylpropyl(dimethyl)amine; picric acid Formula: C29H26N8O14 MolecularWeight: 710.56194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2C3=CC=CC=C31.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

CN(C)CCCN1C2=CC=CC=C2C3=CC=CC=C31.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/C17H20N2.2C6H3N3O7/c1-18(2)12-7-13-19-16-10-5-3-8-14(16)15-9-4-6-11-17(15)19;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,8-11H,7,12-13H2,1-2H3;2*1-2,10H