2-[4-(2-azanylethyl)phenyl]ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 2-[4-(2-azanylethyl)phenyl]ethanamine; 2,4,6-trinitrophenol Openeye Name: 2-[4-(2-aminoethyl)phenyl]ethanamine; picric acid CAS Name: 2-[4-(2-aminoethyl)phenyl]ethanamine; 2,4,6-trinitrophenol IUPAC Name: 2-[4-(2-aminoethyl)phenyl]ethanamine; 2,4,6-trinitrophenol Traditional Name: 2-[4-(2-aminoethyl)phenyl]ethylamine; picric acid Formula: C16H19N5O7 MolecularWeight: 393.35136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN)CCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCN)CCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H16N2.C6H3N3O7/c11-7-5-9-1-2-10(4-3-9)6-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4H,5-8,11-12H2;1-2,10H