[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [5-(4-chlorophenyl)oxazol-2-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [5-(4-chlorophenyl)-2-oxazolyl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [5-(4-chlorophenyl)oxazol-2-yl]methyl ester Formula: C16H11ClN2O4 MolecularWeight: 330.72254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=NC=C(O2)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=NC=C(O2)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C16H11ClN2O4/c17-12-6-4-11(5-7-12)14-9-18-15(23-14)10-22-16(20)13-3-1-2-8-19(13)21/h1-9H,10H2