[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20BrN3O5 MolecularWeight: 414.2511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)CNC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)CNC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C16H20BrN3O5/c1-2-3-8-18-16(24)20-13(21)10-25-14(22)9-19-15(23)11-4-6-12(17)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,19,23)(H2,18,20,21,24)