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

Systemtic Name: 4-azanyl-5-[3-[(E)-3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)prop-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 4-amino-5-[3-[(E)-3-(3-hydroxy-2-methoxycarbonyl-phenoxy)prop-1-enyl]phenyl]isoxazole-3-carboxylic acid CAS Name: 4-amino-5-[3-[(E)-3-(3-hydroxy-2-methoxycarbonylphenoxy)prop-1-enyl]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 4-amino-5-[3-[(E)-3-(3-hydroxy-2-methoxycarbonylphenoxy)prop-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 4-amino-5-[3-[(E)-3-(2-carbomethoxy-3-hydroxy-phenoxy)prop-1-enyl]phenyl]isoxazole-3-carboxylic acid Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1OCC=CC2=CC=CC(=C2)C3=C(C(=NO3)C(=O)O)N)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7/c1-28-21(27)16-14(24)8-3-9-15(16)29-10-4-6-12-5-2-7-13(11-12)19-17(22)18(20(25)26)23-30-19/h2-9,11,24H,10,22H2,1H3,(H,25,26)/b6-4+