[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(N-benzyl-3-methyl-anilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(3-methyl-N-(phenylmethyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-benzyl-3-methylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(N-benzyl-3-methyl-anilino)-2-keto-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C22H20N2O4/c1-17-8-7-11-19(14-17)23(15-18-9-3-2-4-10-18)21(25)16-28-22(26)20-12-5-6-13-24(20)27/h2-14H,15-16H2,1H3