(5-azanylidene-3-methyl-1,2-oxazol-4-ylidene)-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxy-methanolate

Systemtic Name: (5-azanylidene-3-methyl-1,2-oxazol-4-ylidene)-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxy-methanolate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethoxy]-(5-imino-3-methyl-isoxazol-4-ylidene)methanolate CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-(5-imino-3-methyl-4-isoxazolylidene)methanolate IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-(5-imino-3-methyl-1,2-oxazol-4-ylidene)methanolate Traditional Name: (5-imino-3-methyl-2-isoxazolin-4-ylidene)-[(1R)-2-keto-1-methyl-2-(piperonylamino)ethoxy]methanolate Formula: C16H16N3O6- MolecularWeight: 346.31474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N)C1=C([O-])OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NOC(=N)C1=C([O-])O[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17N3O6/c1-8-13(14(17)25-19-8)16(21)24-9(2)15(20)18-6-10-3-4-11-12(5-10)23-7-22-11/h3-5,9,17,21H,6-7H2,1-2H3,(H,18,20)/p-1/t9-/m1/s1