(2-nitrophenyl)methyl 2-[2-[(4-bromophenyl)carbonylamino]ethanoylamino]ethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-[2-[(4-bromophenyl)carbonylamino]ethanoylamino]ethanoate Openeye Name: (2-nitrophenyl)methyl 2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]acetate CAS Name: 2-[[2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxoethyl]amino]acetic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]acetate Traditional Name: 2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]acetic acid (2-nitrobenzyl) ester Formula: C18H16BrN3O6 MolecularWeight: 450.24014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CNC(=O)CNC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CNC(=O)CNC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN3O6/c19-14-7-5-12(6-8-14)18(25)21-9-16(23)20-10-17(24)28-11-13-3-1-2-4-15(13)22(26)27/h1-8H,9-11H2,(H,20,23)(H,21,25)