5-[3-[(E)-3-(2-acetamido-3-oxidanyl-phenoxy)prop-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[3-[(E)-3-(2-acetamido-3-oxidanyl-phenoxy)prop-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[3-[(E)-3-(2-acetamido-3-hydroxy-phenoxy)prop-1-enyl]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[3-[(E)-3-(2-acetamido-3-hydroxyphenoxy)prop-1-enyl]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[3-[(E)-3-(2-acetamido-3-hydroxyphenoxy)prop-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[(E)-3-(2-acetamido-3-hydroxy-phenoxy)prop-1-enyl]phenyl]isoxazole-3-carboxylic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC=C1OCC=CC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC=C1OC/C=C/C2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O

InChI

InChI=1S/C21H18N2O6/c1-13(24)22-20-17(25)8-3-9-18(20)28-10-4-6-14-5-2-7-15(11-14)19-12-16(21(26)27)23-29-19/h2-9,11-12,25H,10H2,1H3,(H,22,24)(H,26,27)/b6-4+