2-[1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-oxidanylidene-ethoxy]-3-oxidanyl-propanal; 2,4,6-trinitrophenol

Systemtic Name: 2-[1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-oxidanylidene-ethoxy]-3-oxidanyl-propanal; 2,4,6-trinitrophenol Openeye Name: 2-[1-(4-amino-2-oxo-pyrimidin-1-yl)-2-oxo-ethoxy]-3-hydroxy-propanal; picric acid CAS Name: 2-[1-(4-amino-2-oxo-1-pyrimidinyl)-2-oxoethoxy]-3-hydroxypropanal; 2,4,6-trinitrophenol IUPAC Name: 2-[1-(4-amino-2-oxopyrimidin-1-yl)-2-oxoethoxy]-3-hydroxypropanal; 2,4,6-trinitrophenol Traditional Name: 2-[1-(4-amino-2-keto-pyrimidin-1-yl)-2-keto-ethoxy]-3-hydroxy-propionaldehyde; picric acid Formula: C15H14N6O12 MolecularWeight: 470.30466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C(C=O)OC(CO)C=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN(C(=O)N=C1N)C(C=O)OC(CO)C=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O5.C6H3N3O7/c10-7-1-2-12(9(16)11-7)8(5-15)17-6(3-13)4-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-3,5-6,8,14H,4H2,(H2,10,11,16);1-2,10H