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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-benzamido-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 1-benzamido-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-benzamido-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-benzamido-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-benzamido-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20BrN3O5 MolecularWeight: 474.3046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2CC(=O)N(C2)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2CC(=O)N(C2)NC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C21H20BrN3O5/c1-13-9-16(7-8-17(13)22)23-18(26)12-30-21(29)15-10-19(27)25(11-15)24-20(28)14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,23,26)(H,24,28)