phenacyl 5-[(4-bromanyl-3-chloranyl-2-methyl-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: phenacyl 5-[(4-bromanyl-3-chloranyl-2-methyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: phenacyl 5-(4-bromo-3-chloro-2-methyl-anilino)-5-oxo-pentanoate CAS Name: 5-(4-bromo-3-chloro-2-methylanilino)-5-oxopentanoic acid phenacyl ester IUPAC Name: phenacyl 5-(4-bromo-3-chloro-2-methylanilino)-5-oxopentanoate Traditional Name: 5-(4-bromo-3-chloro-2-methyl-anilino)-5-keto-valeric acid phenacyl ester Formula: C20H19BrClNO4 MolecularWeight: 452.72616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)Br)NC(=O)CCCC(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1Cl)Br)NC(=O)CCCC(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H19BrClNO4/c1-13-16(11-10-15(21)20(13)22)23-18(25)8-5-9-19(26)27-12-17(24)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,23,25)