2-(2-azanylethyl)aniline; 2,4,6-trinitrophenol

Systemtic Name: 2-(2-azanylethyl)aniline; 2,4,6-trinitrophenol Openeye Name: 2-(2-aminoethyl)aniline; picric acid CAS Name: 2-(2-aminoethyl)aniline; 2,4,6-trinitrophenol IUPAC Name: 2-(2-aminoethyl)aniline; 2,4,6-trinitrophenol Traditional Name: [2-(2-aminoethyl)phenyl]amine; picric acid Formula: C20H18N8O14 MolecularWeight: 594.40212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCN)N.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

C1=CC=C(C(=C1)CCN)N.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/C8H12N2.2C6H3N3O7/c9-6-5-7-3-1-2-4-8(7)10;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4H,5-6,9-10H2;2*1-2,10H