3-[(3R,4S)-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[(3R,4S)-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-benzimidazol-2-one IUPAC Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]-1H-benzimidazol-2-one Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4NC3=O)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4NC3=O)O)C

InChI

InChI=1S/C18H17N3O5/c1-18(2)16(22)15(11-9-10(21(24)25)7-8-14(11)26-18)20-13-6-4-3-5-12(13)19-17(20)23/h3-9,15-16,22H,1-2H3,(H,19,23)/t15-,16+/m0/s1