N,N-dimethyl-N'-phenyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine; 2,4,6-trinitrophenol

Systemtic Name: N,N-dimethyl-N'-phenyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine; 2,4,6-trinitrophenol Openeye Name: N,N-dimethyl-N'-phenyl-N'-[2-(4-pyridyl)ethyl]ethane-1,2-diamine; picric acid CAS Name: N,N-dimethyl-N'-phenyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dimethyl-N'-phenyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine; 2,4,6-trinitrophenol Traditional Name: dimethyl-[2-[N-[2-(4-pyridyl)ethyl]anilino]ethyl]amine; picric acid Formula: C29H29N9O14 MolecularWeight: 727.59246

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CCC1=CC=NC=C1)C2=CC=CC=C2.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)CCN(CCC1=CC=NC=C1)C2=CC=CC=C2.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/C17H23N3.2C6H3N3O7/c1-19(2)14-15-20(17-6-4-3-5-7-17)13-10-16-8-11-18-12-9-16;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-9,11-12H,10,13-15H2,1-2H3;2*1-2,10H