propan-2-yl 3-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(2-bromo-5-methoxy-benzoyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[(2-bromo-5-methoxyphenyl)-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(2-bromo-5-methoxybenzoyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(2-bromo-5-methoxy-benzoyl)amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O6/c1-12(2)29-19(24)11-17(14-6-4-5-7-18(14)23(26)27)22-20(25)15-10-13(28-3)8-9-16(15)21/h4-10,12,17H,11H2,1-3H3,(H,22,25)