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

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic 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)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

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