(2-formamido-4-oxidanyl-4-oxidanylidene-butyl)-trimethyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: (2-formamido-4-oxidanyl-4-oxidanylidene-butyl)-trimethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: (2-formamido-4-hydroxy-4-oxo-butyl)-trimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: (2-formamido-4-hydroxy-4-oxobutyl)-trimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: (2-formamido-4-hydroxy-4-oxobutyl)-trimethylazanium; 2,4,6-trinitrophenolate Traditional Name: (2-formamido-4-hydroxy-4-keto-butyl)-trimethyl-ammonium picrate Formula: C14H19N5O10 MolecularWeight: 417.32816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16N2O3.C6H3N3O7/c1-10(2,3)5-7(9-6-11)4-8(12)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-7H,4-5H2,1-3H3,(H-,9,11,12,13);1-2,10H