5-[3-[(E)-3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)-4-oxidanyl-but-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[3-[(E)-3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)-4-oxidanyl-but-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[3-[(E)-4-hydroxy-3-(3-hydroxy-2-methoxycarbonyl-phenoxy)but-1-enyl]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[3-[(E)-4-hydroxy-3-(3-hydroxy-2-methoxycarbonylphenoxy)but-1-enyl]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[3-[(E)-4-hydroxy-3-(3-hydroxy-2-methoxycarbonylphenoxy)but-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[(E)-3-(2-carbomethoxy-3-hydroxy-phenoxy)-4-hydroxy-but-1-enyl]phenyl]isoxazole-3-carboxylic acid Formula: C22H19NO8 MolecularWeight: 425.38816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1OC(CO)C=CC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O

Isomeric SMILES

COC(=O)C1=C(C=CC=C1OC(CO)/C=C/C2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O

InChI

InChI=1S/C22H19NO8/c1-29-22(28)20-17(25)6-3-7-18(20)30-15(12-24)9-8-13-4-2-5-14(10-13)19-11-16(21(26)27)23-31-19/h2-11,15,24-25H,12H2,1H3,(H,26,27)/b9-8+