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

Systemtic Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-methoxy-5-nitro-benzenesulfonate Openeye Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-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] 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester Formula: C16H13N3O7S MolecularWeight: 391.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H13N3O7S/c1-10-17-16(18-25-10)11-3-6-13(7-4-11)26-27(22,23)15-9-12(19(20)21)5-8-14(15)24-2/h3-9H,1-2H3