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

Systemtic Name: methyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-(4,5-dimethyloxazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4,5-dimethyl-2-oxazolyl)thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4,5-dimethyloxazol-2-yl)thio]-5-nitro-benzoic acid methyl ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=C(OC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C13H12N2O5S/c1-7-8(2)20-13(14-7)21-11-5-4-9(15(17)18)6-10(11)12(16)19-3/h4-6H,1-3H3