[1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-diethyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-diethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: [1-[(3,4-dimethylisoxazol-5-yl)carbamoyl]-2-methyl-propyl]-diethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: [1-[(3,4-dimethyl-5-isoxazolyl)amino]-3-methyl-1-oxobutan-2-yl]-diethylammonium; 2,4,6-trinitrophenolate IUPAC Name: [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxobutan-2-yl]-diethylazanium; 2,4,6-trinitrophenolate Traditional Name: [1-[(3,4-dimethylisoxazol-5-yl)carbamoyl]-2-methyl-propyl]-diethyl-ammonium picrate Formula: C20H28N6O9 MolecularWeight: 496.47112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C(C)C)C(=O)NC1=C(C(=NO1)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)C(C(C)C)C(=O)NC1=C(C(=NO1)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H25N3O2.C6H3N3O7/c1-7-17(8-2)12(9(3)4)13(18)15-14-10(5)11(6)16-19-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9,12H,7-8H2,1-6H3,(H,15,18);1-2,10H