[2-(butanoylamino)-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: [2-(butanoylamino)-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: [2-(butanoylamino)-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: [4-hydroxy-4-oxo-2-(1-oxobutylamino)butyl]-trimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: [2-(butanoylamino)-4-hydroxy-4-oxobutyl]-trimethylazanium; 2,4,6-trinitrophenolate Traditional Name: (2-butyramido-4-hydroxy-4-keto-butyl)-trimethyl-ammonium picrate Formula: C17H25N5O10 MolecularWeight: 459.4079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22N2O3.C6H3N3O7/c1-5-6-10(14)12-9(7-11(15)16)8-13(2,3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9H,5-8H2,1-4H3,(H-,12,14,15,16);1-2,10H