[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C15H10ClN3O4 MolecularWeight: 331.7106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)[O-]

InChI

InChI=1S/C15H10ClN3O4/c16-11-5-4-10(8-17)12(7-11)18-14(20)9-23-15(21)13-3-1-2-6-19(13)22/h1-7H,9H2,(H,18,20)