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

Systemtic Name: 2-(diethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pentanamide; 2,4,6-trinitrophenolate Openeye Name: 2-(diethylamino)-N-(3,4-dimethylisoxazol-5-yl)pentanamide; 2,4,6-trinitrophenolate CAS Name: 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)pentanamide; 2,4,6-trinitrophenolate IUPAC Name: 2-(diethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pentanamide; 2,4,6-trinitrophenolate Traditional Name: 2-(diethylamino)-N-(3,4-dimethylisoxazol-5-yl)valeramide picrate Formula: C20H27N6O9- MolecularWeight: 495.46318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N3O2.C6H3N3O7/c1-6-9-12(17(7-2)8-3)13(18)15-14-10(4)11(5)16-19-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h12H,6-9H2,1-5H3,(H,15,18);1-2,10H/p-1