[(2S)-2-[2-nitro-6-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]-3-oxidanyl-propyl] ethanoate

Systemtic Name: [(2S)-2-[2-nitro-6-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]-3-oxidanyl-propyl] ethanoate Openeye Name: [(2S)-2-[2-benzyloxy-4-(benzyloxymethyl)-6-nitro-phenyl]-3-hydroxy-propyl] acetate CAS Name: acetic acid [(2S)-3-hydroxy-2-[2-nitro-6-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]propyl] ester IUPAC Name: [(2S)-3-hydroxy-2-[2-nitro-6-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]propyl] acetate Traditional Name: acetic acid [(2S)-2-[2-benzoxy-4-(benzoxymethyl)-6-nitro-phenyl]-3-hydroxy-propyl] ester Formula: C26H27NO7 MolecularWeight: 465.49508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CO)C1=C(C=C(C=C1OCC2=CC=CC=C2)COCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC[C@H](CO)C1=C(C=C(C=C1OCC2=CC=CC=C2)COCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H27NO7/c1-19(29)33-18-23(14-28)26-24(27(30)31)12-22(16-32-15-20-8-4-2-5-9-20)13-25(26)34-17-21-10-6-3-7-11-21/h2-13,23,28H,14-18H2,1H3/t23-/m0/s1