1,3-bis(chloranyl)propan-2-yl 4-[(4-bromophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 1,3-bis(chloranyl)propan-2-yl 4-[(4-bromophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-chloro-1-(chloromethyl)ethyl] 4-(4-bromoanilino)-4-oxo-butanoate CAS Name: 4-(4-bromoanilino)-4-oxobutanoic acid 1,3-dichloropropan-2-yl ester IUPAC Name: 1,3-dichloropropan-2-yl 4-(4-bromoanilino)-4-oxobutanoate Traditional Name: 4-(4-bromoanilino)-4-keto-butyric acid [2-chloro-1-(chloromethyl)ethyl] ester Formula: C13H14BrCl2NO3 MolecularWeight: 383.06516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)OC(CCl)CCl)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)OC(CCl)CCl)Br

InChI

InChI=1S/C13H14BrCl2NO3/c14-9-1-3-10(4-2-9)17-12(18)5-6-13(19)20-11(7-15)8-16/h1-4,11H,5-8H2,(H,17,18)