5-[3-[2-(2-methoxycarbonyl-3-oxidanyl-phenoxy)ethylamino]phenyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[3-[2-(2-methoxycarbonyl-3-oxidanyl-phenoxy)ethylamino]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[3-[2-(3-hydroxy-2-methoxycarbonyl-phenoxy)ethylamino]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[3-[2-(3-hydroxy-2-methoxycarbonylphenoxy)ethylamino]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[3-[2-(3-hydroxy-2-methoxycarbonylphenoxy)ethylamino]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[2-(2-carbomethoxy-3-hydroxy-phenoxy)ethylamino]phenyl]isoxazole-3-carboxylic acid Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1OCCNC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O

Isomeric SMILES

COC(=O)C1=C(C=CC=C1OCCNC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O

InChI

InChI=1S/C20H18N2O7/c1-27-20(26)18-15(23)6-3-7-16(18)28-9-8-21-13-5-2-4-12(10-13)17-11-14(19(24)25)22-29-17/h2-7,10-11,21,23H,8-9H2,1H3,(H,24,25)