[3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O6S/c1-10-9-26-16(18-10)11(6-17)13(20)7-25-15(21)8-24-14-5-3-2-4-12(14)19(22)23/h2-5,9,11H,7-8H2,1H3