(4-bromophenyl)methyl 4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-bromophenyl)methyl 4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-bromophenyl)methyl 4-(5-chloro-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(5-chloro-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-methyl-anilino)-4-keto-butyric acid (4-bromobenzyl) ester Formula: C18H17BrClNO3 MolecularWeight: 410.68948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H17BrClNO3/c1-12-2-7-15(20)10-16(12)21-17(22)8-9-18(23)24-11-13-3-5-14(19)6-4-13/h2-7,10H,8-9,11H2,1H3,(H,21,22)