(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O5S/c1-8-11(9(2)21-15-8)7-20-14(17)10-4-5-13(22-3)12(6-10)16(18)19/h4-6H,7H2,1-3H3