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

Systemtic Name: (3-nitrophenyl)methyl 2-[2-[(4-bromophenyl)carbonylamino]ethanoylamino]ethanoate Openeye Name: (3-nitrophenyl)methyl 2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]acetate CAS Name: 2-[[2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxoethyl]amino]acetic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]acetate Traditional Name: 2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]acetic acid (3-nitrobenzyl) ester Formula: C18H16BrN3O6 MolecularWeight: 450.24014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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