[2-[(4-bromanyl-3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromanyl-3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-3-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-(4-acetylanilino)-4-oxo-butanoate CAS Name: 4-(4-acetylanilino)-4-oxobutanoic acid [2-(4-bromo-3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-chloro-2-methylanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate Traditional Name: 4-(4-acetylanilino)-4-keto-butyric acid [2-(4-bromo-3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20BrClN2O5 MolecularWeight: 495.7509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1Cl)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C21H20BrClN2O5/c1-12-17(8-7-16(22)21(12)23)25-19(28)11-30-20(29)10-9-18(27)24-15-5-3-14(4-6-15)13(2)26/h3-8H,9-11H2,1-2H3,(H,24,27)(H,25,28)