[(2R,3S)-4-(3-bromophenyl)carbonyloxy-3-[(2-nitropyrrol-1-yl)methoxy]-2-oxidanyl-butyl] 3-bromanylbenzoate

Systemtic Name: [(2R,3S)-4-(3-bromophenyl)carbonyloxy-3-[(2-nitropyrrol-1-yl)methoxy]-2-oxidanyl-butyl] 3-bromanylbenzoate Openeye Name: [(2R,3S)-4-(3-bromobenzoyl)oxy-2-hydroxy-3-[(2-nitropyrrol-1-yl)methoxy]butyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [(2R,3S)-4-[(3-bromophenyl)-oxomethoxy]-2-hydroxy-3-[(2-nitro-1-pyrrolyl)methoxy]butyl] ester IUPAC Name: [(2R,3S)-4-(3-bromobenzoyl)oxy-2-hydroxy-3-[(2-nitropyrrol-1-yl)methoxy]butyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [(2R,3S)-4-(3-bromobenzoyl)oxy-2-hydroxy-3-[(2-nitropyrrol-1-yl)methoxy]butyl] ester Formula: C23H20Br2N2O8 MolecularWeight: 612.2215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OCC(C(COC(=O)C2=CC(=CC=C2)Br)OCN3C=CC=C3[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OC[C@H]([C@H](COC(=O)C2=CC(=CC=C2)Br)OCN3C=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C23H20Br2N2O8/c24-17-6-1-4-15(10-17)22(29)33-12-19(28)20(35-14-26-9-3-8-21(26)27(31)32)13-34-23(30)16-5-2-7-18(25)11-16/h1-11,19-20,28H,12-14H2/t19-,20+/m1/s1