[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl] 4-(4-acetamidoanilino)-4-oxo-butanoate CAS Name: 4-(4-acetamidoanilino)-4-oxobutanoic acid [2-(4-bromo-2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(4-acetamidoanilino)-4-oxobutanoate Traditional Name: 4-(4-acetamidoanilino)-4-keto-butyric acid [2-(4-bromo-2-chloro-anilino)-2-keto-ethyl] ester Formula: C20H19BrClN3O5 MolecularWeight: 496.73896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C20H19BrClN3O5/c1-12(26)23-14-3-5-15(6-4-14)24-18(27)8-9-20(29)30-11-19(28)25-17-7-2-13(21)10-16(17)22/h2-7,10H,8-9,11H2,1H3,(H,23,26)(H,24,27)(H,25,28)