[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-keto-2-(m-anisidino)-1-methyl-ethyl] ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-11(23-16(20)12-6-8-18(21)9-7-12)15(19)17-13-4-3-5-14(10-13)22-2/h3-11H,1-2H3,(H,17,19)/t11-/m1/s1