[2-[(4-bromanyl-3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(4-methylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(4-methylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-3-chloro-2-methyl-anilino)-2-oxo-ethyl] 1-[(4-methylbenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[[(4-methylphenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-chloro-2-methylanilino)-2-oxoethyl] 1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-toluoylamino)pyrrolidine-3-carboxylic acid [2-(4-bromo-3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H21BrClN3O5 MolecularWeight: 522.77624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN2CC(CC2=O)C(=O)OCC(=O)NC3=C(C(=C(C=C3)Br)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NN2CC(CC2=O)C(=O)OCC(=O)NC3=C(C(=C(C=C3)Br)Cl)C

InChI

InChI=1S/C22H21BrClN3O5/c1-12-3-5-14(6-4-12)21(30)26-27-10-15(9-19(27)29)22(31)32-11-18(28)25-17-8-7-16(23)20(24)13(17)2/h3-8,15H,9-11H2,1-2H3,(H,25,28)(H,26,30)