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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(O2)COC(=O)C3=CC=[N+](C=C3)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(O2)COC(=O)C3=CC=[N+](C=C3)[O-])Cl

InChI

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