2-(diethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide; 2,4,6-trinitrophenolate

Systemtic Name: 2-(diethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide; 2,4,6-trinitrophenolate Openeye Name: 2-(diethylamino)-N-(3,4-dimethylisoxazol-5-yl)propanamide; 2,4,6-trinitrophenolate CAS Name: 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)propanamide; 2,4,6-trinitrophenolate IUPAC Name: 2-(diethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide; 2,4,6-trinitrophenolate Traditional Name: 2-(diethylamino)-N-(3,4-dimethylisoxazol-5-yl)propionamide picrate Formula: C18H23N6O9- MolecularWeight: 467.41002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)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

CCN(CC)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/C12H21N3O2.C6H3N3O7/c1-6-15(7-2)10(5)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/h10H,6-7H2,1-5H3,(H,13,16);1-2,10H/p-1