[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=CC(=CC=C1)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C16H21BrN2O5/c1-16(2,3)24-15(22)18-8-7-14(21)23-10-13(20)19-12-6-4-5-11(17)9-12/h4-6,9H,7-8,10H2,1-3H3,(H,18,22)(H,19,20)