(Z)-3-(5-bromanyl-3-nitro-2-oxidanidyl-phenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate

Systemtic Name: (Z)-3-(5-bromanyl-3-nitro-2-oxidanidyl-phenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate Openeye Name: (Z)-3-(5-bromo-3-nitro-2-oxido-phenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate CAS Name: (Z)-3-(5-bromo-3-nitro-2-oxidophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]-2-propenoate IUPAC Name: (Z)-3-(5-bromo-3-nitro-2-oxidophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate Traditional Name: (Z)-3-(5-bromo-3-nitro-2-oxido-phenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acrylate Formula: C12H6BrN3O6S-2 MolecularWeight: 400.16154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)SC(=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Br)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)S/C(=C\C2=CC(=CC(=C2[O-])[N+](=O)[O-])Br)/C(=O)[O-]

InChI

InChI=1S/C12H8BrN3O6S/c1-5-14-15-12(22-5)23-9(11(18)19)3-6-2-7(13)4-8(10(6)17)16(20)21/h2-4,17H,1H3,(H,18,19)/p-2/b9-3-