(3S,4S)-6-[(6-methyl-5-nitro-pyridin-2-yl)methoxy]-3-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-ol

Systemtic Name: (3S,4S)-6-[(6-methyl-5-nitro-pyridin-2-yl)methoxy]-3-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-ol Openeye Name: (3S,4S)-6-[(6-methyl-5-nitro-2-pyridyl)methoxy]-3-(3-pyridylmethyl)chroman-4-ol CAS Name: (3S,4S)-6-[(6-methyl-5-nitro-2-pyridinyl)methoxy]-3-(3-pyridinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (3S,4S)-6-[(6-methyl-5-nitropyridin-2-yl)methoxy]-3-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-ol Traditional Name: (3S,4S)-6-[(6-methyl-5-nitro-2-pyridyl)methoxy]-3-(3-pyridylmethyl)chroman-4-ol Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)COC2=CC3=C(C=C2)OCC(C3O)CC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=N1)COC2=CC3=C(C=C2)OC[C@@H]([C@@H]3O)CC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5/c1-14-20(25(27)28)6-4-17(24-14)13-29-18-5-7-21-19(10-18)22(26)16(12-30-21)9-15-3-2-8-23-11-15/h2-8,10-11,16,22,26H,9,12-13H2,1H3/t16-,22-/m0/s1