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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

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