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

Systemtic Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3-chloranyl-4-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3-chloro-4-methyl-5-nitro-benzenesulfonate CAS Name: 3-chloro-4-methyl-5-nitrobenzenesulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester IUPAC Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3-chloro-4-methyl-5-nitrobenzenesulfonate Traditional Name: 3-chloro-4-methyl-5-nitro-benzenesulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester Formula: C16H12ClN3O6S MolecularWeight: 409.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C3=NOC(=N3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C3=NOC(=N3)C)Cl

InChI

InChI=1S/C16H12ClN3O6S/c1-9-14(17)7-13(8-15(9)20(21)22)27(23,24)26-12-5-3-11(4-6-12)16-18-10(2)25-19-16/h3-8H,1-2H3