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

Systemtic Name: N-[(3S)-2,2-dimethyl-6-nitro-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-7-yl]ethanamide Openeye Name: N-[(3S)-3-hydroxy-2,2-dimethyl-6-nitro-4-(2-oxopyrrolidin-1-yl)chroman-7-yl]acetamide CAS Name: N-[(3S)-3-hydroxy-2,2-dimethyl-6-nitro-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-7-yl]acetamide IUPAC Name: N-[(3S)-3-hydroxy-2,2-dimethyl-6-nitro-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-7-yl]acetamide Traditional Name: N-[(3S)-3-hydroxy-4-(2-ketopyrrolidino)-2,2-dimethyl-6-nitro-chroman-7-yl]acetamide Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(C(C(OC2=C1)(C)C)O)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C([C@@H](C(OC2=C1)(C)C)O)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6/c1-9(21)18-11-8-13-10(7-12(11)20(24)25)15(16(23)17(2,3)26-13)19-6-4-5-14(19)22/h7-8,15-16,23H,4-6H2,1-3H3,(H,18,21)/t15?,16-/m0/s1