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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S/c1-8-5-10(14-20-8)7-19-13(16)9-3-4-12(21-2)11(6-9)15(17)18/h3-6H,7H2,1-2H3