2-[[5-(3-methoxy-4-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid

Systemtic Name: 2-[[5-(3-methoxy-4-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid Openeye Name: 2-[[5-(4-hydroxy-3-methoxy-phenyl)-4,5-dihydroisoxazol-3-yl]amino]benzoic acid CAS Name: 2-[[5-(4-hydroxy-3-methoxyphenyl)-4,5-dihydroisoxazol-3-yl]amino]benzoic acid IUPAC Name: 2-[[5-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid Traditional Name: 2-[[5-(4-hydroxy-3-methoxy-phenyl)-2-isoxazolin-3-yl]amino]benzoic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=NO2)NC3=CC=CC=C3C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2CC(=NO2)NC3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C17H16N2O5/c1-23-15-8-10(6-7-13(15)20)14-9-16(19-24-14)18-12-5-3-2-4-11(12)17(21)22/h2-8,14,20H,9H2,1H3,(H,18,19)(H,21,22)