[4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [4-[(4-chloro-3-methyl-phenyl)carbamoyl]phenyl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [4-[(4-chloro-3-methylanilino)-oxomethyl]phenyl]methyl ester IUPAC Name: [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [4-[(4-chloro-3-methyl-phenyl)carbamoyl]benzyl] ester Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O4/c1-14-12-18(6-7-19(14)22)23-20(25)16-4-2-15(3-5-16)13-28-21(26)17-8-10-24(27)11-9-17/h2-12H,13H2,1H3,(H,23,25)