[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H19BrN2O5/c1-13(21(27)24-16-5-3-4-14(10-16)12-23)29-20(26)9-7-18(25)17-11-15(22)6-8-19(17)28-2/h3-6,8,10-11,13H,7,9H2,1-2H3,(H,24,27)