[2-methoxy-4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenyl] benzenesulfonate

Systemtic Name: [2-methoxy-4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenyl] benzenesulfonate Openeye Name: [2-methoxy-4-[2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-methoxy-4-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-methoxy-4-[2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]phenyl] ester Formula: C19H16N2O7S MolecularWeight: 416.40454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H16N2O7S/c1-13-19(21(22)23)17(27-20-13)11-9-14-8-10-16(18(12-14)26-2)28-29(24,25)15-6-4-3-5-7-15/h3-12H,1-2H3