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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O7S/c1-28(24,25)17-8-7-13(9-15(17)20(22)23)18(21)26-11-14-10-16(27-19-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3