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

Systemtic Name: [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-butan-2-yl]-dimethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: 1-[(3,4-dimethylisoxazol-5-yl)carbamoyl]propyl-dimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: [1-[(3,4-dimethyl-5-isoxazolyl)amino]-1-oxobutan-2-yl]-dimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-1-oxobutan-2-yl]-dimethylazanium; 2,4,6-trinitrophenolate Traditional Name: 1-[(3,4-dimethylisoxazol-5-yl)carbamoyl]propyl-dimethyl-ammonium picrate Formula: C17H22N6O9 MolecularWeight: 454.39138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O2.C6H3N3O7/c1-6-9(14(4)5)10(15)12-11-7(2)8(3)13-16-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9H,6H2,1-5H3,(H,12,15);1-2,10H