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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H18N2O4/c24-20(15-27-21(25)19-12-6-7-13-23(19)26)22-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,22,24)