trimethyl-[4-oxidanyl-4-oxidanylidene-2-(propylamino)butanoyl]azanium; 2,4,6-trinitrophenolate

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-(propylamino)butanoyl]azanium; 2,4,6-trinitrophenolate Openeye Name: [4-hydroxy-4-oxo-2-(propylamino)butanoyl]-trimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: [4-hydroxy-1,4-dioxo-2-(propylamino)butyl]-trimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: [4-hydroxy-4-oxo-2-(propylamino)butanoyl]-trimethylazanium; 2,4,6-trinitrophenolate Traditional Name: [4-hydroxy-4-keto-2-(propylamino)butanoyl]-trimethyl-ammonium picrate Formula: C16H23N5O10 MolecularWeight: 445.38132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20N2O3.C6H3N3O7/c1-5-6-11-8(7-9(13)14)10(15)12(2,3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8,11H,5-7H2,1-4H3;1-2,10H