N-[(3S)-2,2-dimethyl-6-nitro-3-oxidanyl-5-piperidin-1-yl-3,4-dihydrochromen-7-yl]ethanamide

Systemtic Name: N-[(3S)-2,2-dimethyl-6-nitro-3-oxidanyl-5-piperidin-1-yl-3,4-dihydrochromen-7-yl]ethanamide Openeye Name: N-[(3S)-3-hydroxy-2,2-dimethyl-6-nitro-5-(1-piperidyl)chroman-7-yl]acetamide CAS Name: N-[(3S)-3-hydroxy-2,2-dimethyl-6-nitro-5-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-7-yl]acetamide IUPAC Name: N-[(3S)-3-hydroxy-2,2-dimethyl-6-nitro-5-piperidin-1-yl-3,4-dihydrochromen-7-yl]acetamide Traditional Name: N-[(3S)-3-hydroxy-2,2-dimethyl-6-nitro-5-piperidino-chroman-7-yl]acetamide Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(CC(C(O2)(C)C)O)C(=C1[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC2=C(C[C@@H](C(O2)(C)C)O)C(=C1[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C18H25N3O5/c1-11(22)19-13-10-14-12(9-15(23)18(2,3)26-14)16(17(13)21(24)25)20-7-5-4-6-8-20/h10,15,23H,4-9H2,1-3H3,(H,19,22)/t15-/m0/s1