[2-[[4-(4-ethoxyphenoxy)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[4-(4-ethoxyphenoxy)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[4-(4-ethoxyphenoxy)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[4-(4-ethoxyphenoxy)anilino]-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C22H20N2O6/c1-2-28-18-7-9-20(10-8-18)30-19-5-3-17(4-6-19)23-21(25)15-29-22(26)16-11-13-24(27)14-12-16/h3-14H,2,15H2,1H3,(H,23,25)