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

Systemtic Name: [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-dimethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: [1-[(3,4-dimethylisoxazol-5-yl)carbamoyl]-2-methyl-propyl]-dimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: [1-[(3,4-dimethyl-5-isoxazolyl)amino]-3-methyl-1-oxobutan-2-yl]-dimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium; 2,4,6-trinitrophenolate Traditional Name: [1-[(3,4-dimethylisoxazol-5-yl)carbamoyl]-2-methyl-propyl]-dimethyl-ammonium picrate Formula: C18H24N6O9 MolecularWeight: 468.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)NC(=O)C(C(C)C)[NH+](C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(ON=C1C)NC(=O)C(C(C)C)[NH+](C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H21N3O2.C6H3N3O7/c1-7(2)10(15(5)6)11(16)13-12-8(3)9(4)14-17-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7,10H,1-6H3,(H,13,16);1-2,10H