[(E,2R,3S)-7-nitro-6-oxidanyl-1,3-bis(phenylmethoxy)hept-4-en-2-yl] ethanoate

Systemtic Name: [(E,2R,3S)-7-nitro-6-oxidanyl-1,3-bis(phenylmethoxy)hept-4-en-2-yl] ethanoate Openeye Name: [(E,1R,2S)-2-benzyloxy-1-(benzyloxymethyl)-5-hydroxy-6-nitro-hex-3-enyl] acetate CAS Name: acetic acid [(E,2R,3S)-6-hydroxy-7-nitro-1,3-bis(phenylmethoxy)hept-4-en-2-yl] ester IUPAC Name: [(E,2R,3S)-6-hydroxy-7-nitro-1,3-bis(phenylmethoxy)hept-4-en-2-yl] acetate Traditional Name: acetic acid [(E,1R,2S)-2-benzoxy-1-(benzoxymethyl)-5-hydroxy-6-nitro-hex-3-enyl] ester Formula: C23H27NO7 MolecularWeight: 429.46298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(COCC1=CC=CC=C1)C(C=CC(C[N+](=O)[O-])O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@H](COCC1=CC=CC=C1)[C@H](/C=C/C(C[N+](=O)[O-])O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27NO7/c1-18(25)31-23(17-29-15-19-8-4-2-5-9-19)22(13-12-21(26)14-24(27)28)30-16-20-10-6-3-7-11-20/h2-13,21-23,26H,14-17H2,1H3/b13-12+/t21?,22-,23+/m0/s1