1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one; 2,4,6-trinitrophenol

Systemtic Name: 1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one; 2,4,6-trinitrophenol Openeye Name: 1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one; picric acid CAS Name: 1,3-bis(1-methyl-2-pyrrolidinyl)-2-propanone; 2,4,6-trinitrophenol IUPAC Name: 1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one; 2,4,6-trinitrophenol Traditional Name: 1,3-bis(1-methylpyrrolidin-2-yl)acetone; picric acid Formula: C25H30N8O15 MolecularWeight: 682.5503

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CC(=O)CC2CCCN2C.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

CN1CCCC1CC(=O)CC2CCCN2C.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/C13H24N2O.2C6H3N3O7/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11-12H,3-10H2,1-2H3;2*1-2,10H