[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C17H17BrN2O6 MolecularWeight: 425.23068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C17H17BrN2O6/c1-10-7-15(20-26-10)19-16(22)9-25-17(23)6-4-13(21)12-8-11(18)3-5-14(12)24-2/h3,5,7-8H,4,6,9H2,1-2H3,(H,19,20,22)