[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-[(4-nitrophenyl)carbonylamino]butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-[(4-nitrophenyl)carbonylamino]butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (2R)-3-methyl-2-[(4-nitrobenzoyl)amino]butanoate CAS Name: (2R)-3-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]butanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (2R)-3-methyl-2-[(4-nitrobenzoyl)amino]butanoate Traditional Name: (2R)-3-methyl-2-[(4-nitrobenzoyl)amino]butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H19BrN2O6 MolecularWeight: 463.27866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)C1=CC=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H19BrN2O6/c1-12(2)18(22-19(25)14-5-9-16(10-6-14)23(27)28)20(26)29-11-17(24)13-3-7-15(21)8-4-13/h3-10,12,18H,11H2,1-2H3,(H,22,25)/t18-/m1/s1