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

Systemtic Name: [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [3-(4-methoxyphenyl)isoxazol-5-yl]methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [3-(4-methoxyphenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [3-(4-methoxyphenyl)isoxazol-5-yl]methyl ester Formula: C19H16N2O8S MolecularWeight: 432.40394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O8S/c1-27-14-6-3-12(4-7-14)16-10-15(29-20-16)11-28-19(22)13-5-8-18(30(2,25)26)17(9-13)21(23)24/h3-10H,11H2,1-2H3