2-(2,3-dimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 2-(2,3-dimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol Openeye Name: 2-(2,3-dimethoxyphenyl)ethanamine; picric acid CAS Name: 2-(2,3-dimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol IUPAC Name: 2-(2,3-dimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol Traditional Name: 2-(2,3-dimethoxyphenyl)ethylamine; picric acid Formula: C16H18N4O9 MolecularWeight: 410.33552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)CCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H15NO2.C6H3N3O7/c1-12-9-5-3-4-8(6-7-11)10(9)13-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5H,6-7,11H2,1-2H3;1-2,10H