methyl (2R)-2-[(1R,2S)-2-nitrocyclohexyl]-2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name: methyl (2R)-2-[(1R,2S)-2-nitrocyclohexyl]-2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: methyl (2R)-2-(benzyloxycarbonylamino)-2-[(1R,2S)-2-nitrocyclohexyl]acetate CAS Name: (2R)-2-[(1R,2S)-2-nitrocyclohexyl]-2-(phenylmethoxycarbonylamino)acetic acid methyl ester IUPAC Name: methyl (2R)-2-[(1R,2S)-2-nitrocyclohexyl]-2-(phenylmethoxycarbonylamino)acetate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-2-[(1R,2S)-2-nitrocyclohexyl]acetic acid methyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCC1[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]([C@H]1CCCC[C@@H]1[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O6/c1-24-16(20)15(13-9-5-6-10-14(13)19(22)23)18-17(21)25-11-12-7-3-2-4-8-12/h2-4,7-8,13-15H,5-6,9-11H2,1H3,(H,18,21)/t13-,14-,15+/m0/s1