2-(propan-2-ylamino)ethanol; 2,4,6-trinitrophenol

Systemtic Name: 2-(propan-2-ylamino)ethanol; 2,4,6-trinitrophenol Openeye Name: 2-(isopropylamino)ethanol; picric acid CAS Name: 2-(propan-2-ylamino)ethanol; 2,4,6-trinitrophenol IUPAC Name: 2-(propan-2-ylamino)ethanol; 2,4,6-trinitrophenol Traditional Name: 2-(isopropylamino)ethanol; picric acid Formula: C11H16N4O8 MolecularWeight: 332.26674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C5H13NO/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-5(2)6-3-4-7/h1-2,10H;5-7H,3-4H2,1-2H3