(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-(2-nitrophenoxy)-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-(2-nitrophenoxy)-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-(4-methylthiazol-2-yl)-4-(2-nitrophenoxy)-3-oxo-butanenitrile CAS Name: (2R)-2-(4-methyl-2-thiazolyl)-4-(2-nitrophenoxy)-3-oxobutanenitrile IUPAC Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-(2-nitrophenoxy)-3-oxobutanenitrile Traditional Name: (2R)-3-keto-2-(4-methylthiazol-2-yl)-4-(2-nitrophenoxy)butyronitrile Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S/c1-9-8-22-14(16-9)10(6-15)12(18)7-21-13-5-3-2-4-11(13)17(19)20/h2-5,8,10H,7H2,1H3/t10-/m1/s1