[2-[(2-nitro-1H-imidazol-5-yl)methoxy]-3,4-bis(phenylcarbonyloxy)butyl] benzoate

Systemtic Name: [2-[(2-nitro-1H-imidazol-5-yl)methoxy]-3,4-bis(phenylcarbonyloxy)butyl] benzoate Openeye Name: [3,4-dibenzoyloxy-2-[(2-nitro-1H-imidazol-5-yl)methoxy]butyl] benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-2-[(2-nitro-1H-imidazol-5-yl)methoxy]butyl] ester IUPAC Name: [3,4-dibenzoyloxy-2-[(2-nitro-1H-imidazol-5-yl)methoxy]butyl] benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-2-[(2-nitro-1H-imidazol-5-yl)methoxy]butyl] ester Formula: C29H25N3O9 MolecularWeight: 559.5235

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(C(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CN=C(N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(C(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CN=C(N4)[N+](=O)[O-]

InChI

InChI=1S/C29H25N3O9/c33-26(20-10-4-1-5-11-20)39-18-24(38-17-23-16-30-29(31-23)32(36)37)25(41-28(35)22-14-8-3-9-15-22)19-40-27(34)21-12-6-2-7-13-21/h1-16,24-25H,17-19H2,(H,30,31)