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

Systemtic Name: [2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[2-(m-tolylcarbamoyl)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[2-[(3-methylanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[2-(m-tolylcarbamoyl)anilino]ethyl] ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C22H19N3O5/c1-15-5-4-6-17(13-15)23-21(27)18-7-2-3-8-19(18)24-20(26)14-30-22(28)16-9-11-25(29)12-10-16/h2-13H,14H2,1H3,(H,23,27)(H,24,26)