propan-2-yl 3-[2-[(3-bromophenyl)carbonylamino]ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-[(3-bromophenyl)carbonylamino]ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H22BrN3O6 MolecularWeight: 492.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O6/c1-13(2)31-20(27)11-17(16-8-3-4-9-18(16)25(29)30)24-19(26)12-23-21(28)14-6-5-7-15(22)10-14/h3-10,13,17H,11-12H2,1-2H3,(H,23,28)(H,24,26)