4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)carbonylamino]benzoic acid Openeye Name: 4-[[3-(3-pyridyl)-4,5-dihydroisoxazole-5-carbonyl]amino]benzoic acid CAS Name: 4-[[oxo-[3-(3-pyridinyl)-4,5-dihydroisoxazol-5-yl]methyl]amino]benzoic acid IUPAC Name: 4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]benzoic acid Traditional Name: 4-[[3-(3-pyridyl)-2-isoxazoline-5-carbonyl]amino]benzoic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(ON=C1C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O4/c20-15(18-12-5-3-10(4-6-12)16(21)22)14-8-13(19-23-14)11-2-1-7-17-9-11/h1-7,9,14H,8H2,(H,18,20)(H,21,22)