[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(5-chloro-2-phenoxy-anilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-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=[N+](C=C3)[O-]

Isomeric SMILES

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

InChI

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