2-[5-(benzotriazol-1-ylcarbonyl)-3-(2-chlorophenyl)-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[5-(benzotriazol-1-ylcarbonyl)-3-(2-chlorophenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[5-(benzotriazole-1-carbonyl)-3-(2-chlorophenyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[1-benzotriazolyl(oxo)methyl]-3-(2-chlorophenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(benzotriazole-1-carbonyl)-3-(2-chlorophenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[5-(benzotriazole-1-carbonyl)-3-(2-chlorophenyl)-2-isoxazolin-5-yl]acetic acid Formula: C18H13ClN4O4 MolecularWeight: 384.77322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CC(=O)O)C(=O)N2C3=CC=CC=C3N=N2)C4=CC=CC=C4Cl

Isomeric SMILES

C1C(=NOC1(CC(=O)O)C(=O)N2C3=CC=CC=C3N=N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H13ClN4O4/c19-12-6-2-1-5-11(12)14-9-18(27-21-14,10-16(24)25)17(26)23-15-8-4-3-7-13(15)20-22-23/h1-8H,9-10H2,(H,24,25)