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

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-(4-bromoanilino)-4-oxo-butanoate CAS Name: 4-(4-bromoanilino)-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-(4-bromoanilino)-4-oxobutanoate Traditional Name: 4-(4-bromoanilino)-4-keto-butyric acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C16H16BrN3O5 MolecularWeight: 410.21934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrN3O5/c1-10-8-13(20-25-10)19-15(22)9-24-16(23)7-6-14(21)18-12-4-2-11(17)3-5-12/h2-5,8H,6-7,9H2,1H3,(H,18,21)(H,19,20,22)