[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H15ClN2O5 MolecularWeight: 350.7537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C16H15ClN2O5/c1-10(24-16(21)11-5-7-19(22)8-6-11)15(20)18-13-9-12(17)3-4-14(13)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1