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

Systemtic Name: [2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(4-methylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-chloro-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-2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-toluoylamino)pyrrolidine-3-carboxylic acid [2-(4-bromo-2-chloro-anilino)-2-keto-ethyl] ester Formula: C21H19BrClN3O5 MolecularWeight: 508.74966

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrClN3O5/c1-12-2-4-13(5-3-12)20(29)25-26-10-14(8-19(26)28)21(30)31-11-18(27)24-17-7-6-15(22)9-16(17)23/h2-7,9,14H,8,10-11H2,1H3,(H,24,27)(H,25,29)