N-[(3R,4S)-2,2-dimethyl-7-nitro-3-oxidanyl-4-(3-oxidanylidenecyclopenten-1-yl)oxy-3,4-dihydrochromen-6-yl]ethanamide

Systemtic Name: N-[(3R,4S)-2,2-dimethyl-7-nitro-3-oxidanyl-4-(3-oxidanylidenecyclopenten-1-yl)oxy-3,4-dihydrochromen-6-yl]ethanamide Openeye Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-(3-oxocyclopenten-1-yl)oxy-chroman-6-yl]acetamide CAS Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide IUPAC Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromen-6-yl]acetamide Traditional Name: N-[(3R,4S)-3-hydroxy-4-(3-ketocyclopenten-1-yl)oxy-2,2-dimethyl-7-nitro-chroman-6-yl]acetamide Formula: C18H20N2O7 MolecularWeight: 376.3606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)OC3=CC(=O)CC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)[C@@H]([C@H](C(O2)(C)C)O)OC3=CC(=O)CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7/c1-9(21)19-13-7-12-15(8-14(13)20(24)25)27-18(2,3)17(23)16(12)26-11-5-4-10(22)6-11/h6-8,16-17,23H,4-5H2,1-3H3,(H,19,21)/t16-,17+/m0/s1