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

Systemtic Name: [2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(5-chloro-2-phenoxy-anilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(5-chloro-2-phenoxy-anilino)-2-keto-ethyl] ester Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H15ClN2O5/c21-14-9-10-18(28-15-6-2-1-3-7-15)16(12-14)22-19(24)13-27-20(25)17-8-4-5-11-23(17)26/h1-12H,13H2,(H,22,24)