[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C15H10ClN3O4 MolecularWeight: 331.7106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])Cl)C#N

InChI

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