(E)-3-[3-nitro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-nitro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-nitro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-nitro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-nitro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-nitro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]acrylic acid Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])OCC2=NOC=N2

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)O)[N+](=O)[O-])OCC2=NOC=N2

InChI

InChI=1S/C12H9N3O6/c16-12(17)4-2-8-1-3-10(9(5-8)15(18)19)20-6-11-13-7-21-14-11/h1-5,7H,6H2,(H,16,17)/b4-2+