4-azanyl-1-[(2R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1,3-diazinan-2-one; 2,4,6-trinitrophenol

Systemtic Name: 4-azanyl-1-[(2R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1,3-diazinan-2-one; 2,4,6-trinitrophenol Openeye Name: 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]hexahydropyrimidin-2-one; picric acid CAS Name: 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,3-diazinan-2-one; 2,4,6-trinitrophenol IUPAC Name: 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one; 2,4,6-trinitrophenol Traditional Name: 4-amino-1-[(2R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]hexahydropyrimidin-2-one; picric acid Formula: C15H20N6O11 MolecularWeight: 460.3529

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)NC1N)C2CC(C(O2)CO)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=O)NC1N)[C@H]2CC(C(O2)CO)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H17N3O4.C6H3N3O7/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-8,13-14H,1-4,10H2,(H,11,15);1-2,10H/t5?,6?,7?,8-;/m1./s1