[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C13H10ClN3O4 MolecularWeight: 307.6892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C13H10ClN3O4/c14-12-10(2-1-5-15-12)16-11(18)8-21-13(19)9-3-6-17(20)7-4-9/h1-7H,8H2,(H,16,18)