(E)-3-[3-nitro-4-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-nitro-4-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(isoxazol-5-ylmethoxy)-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(5-isoxazolylmethoxy)-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-nitro-4-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(isoxazol-5-ylmethoxy)-3-nitro-phenyl]acrylic acid Formula: C13H10N2O6 MolecularWeight: 290.2283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])OCC2=CC=NO2

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)O)[N+](=O)[O-])OCC2=CC=NO2

InChI

InChI=1S/C13H10N2O6/c16-13(17)4-2-9-1-3-12(11(7-9)15(18)19)20-8-10-5-6-14-21-10/h1-7H,8H2,(H,16,17)/b4-2+