ethyl (2R,3S)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: ethyl (2R,3S)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl (2R,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate CAS Name: (2R,3S)-2-hydroxy-3-(6-nitro-1,3-benzodioxol-5-yl)-3-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-hydroxy-3-(6-nitro-1,3-benzodioxol-5-yl)-3-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-3-(6-nitro-1,3-benzodioxol-5-yl)propionic acid ethyl ester Formula: C20H20N2O9 MolecularWeight: 432.3808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC2=C(C=C1[N+](=O)[O-])OCO2)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H20N2O9/c1-2-28-19(24)18(23)17(21-20(25)29-10-12-6-4-3-5-7-12)13-8-15-16(31-11-30-15)9-14(13)22(26)27/h3-9,17-18,23H,2,10-11H2,1H3,(H,21,25)/t17-,18+/m0/s1