methyl (2E)-2-[(2R,3R,5S)-3-azido-5-oxidanyl-2-phenylmethoxy-cyclohexylidene]ethanoate

Systemtic Name: methyl (2E)-2-[(2R,3R,5S)-3-azido-5-oxidanyl-2-phenylmethoxy-cyclohexylidene]ethanoate Openeye Name: methyl (2E)-2-[(2R,3R,5S)-3-azido-2-benzyloxy-5-hydroxy-cyclohexylidene]acetate CAS Name: (2E)-2-[(2R,3R,5S)-3-azido-5-hydroxy-2-phenylmethoxycyclohexylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-[(2R,3R,5S)-3-azido-5-hydroxy-2-phenylmethoxycyclohexylidene]acetate Traditional Name: (2E)-2-[(2R,3R,5S)-3-azido-2-benzoxy-5-hydroxy-cyclohexylidene]acetic acid methyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1CC(CC(C1OCC2=CC=CC=C2)N=[N+]=[N-])O

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-22-15(21)8-12-7-13(20)9-14(18-19-17)16(12)23-10-11-5-3-2-4-6-11/h2-6,8,13-14,16,20H,7,9-10H2,1H3/b12-8+/t13-,14+,16+/m0/s1