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

Systemtic Name: [4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]phenyl] ester IUPAC Name: [4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]phenyl] ester Formula: C19H15N3O8S MolecularWeight: 445.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=CC3=C(C(=NO3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=CC3=C(C(=NO3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O8S/c1-12-3-9-16(11-17(12)21(23)24)31(27,28)30-15-7-4-14(5-8-15)6-10-18-19(22(25)26)13(2)20-29-18/h3-11H,1-2H3