methyl 4-[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Br)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrNO6/c1-10(16(20)11-3-6-13(18)7-4-11)25-15-8-5-12(17(21)24-2)9-14(15)19(22)23/h3-10H,1-2H3/t10-/m1/s1