Analyte Name

N-[(3S,4R)-4-(cyclopropylamino)-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-6-yl]-2-(4-methoxyphenyl)acetamide

CAS Number

203002-58-8

Molecular Formula

C23 H27 N3 O6

Molecular Weight

441.477

Accurate Mass

441.19

SMILES

COc1ccc(CC(=O)Nc2cc3[C@@H](NC4CC4)[C@H](O)C(C)(C)Oc3cc2[N+](=O)[O-])cc1

InChI

InChI=1S/C23H27N3O6/c1-23(2)22(28)21(24-14-6-7-14)16-11-17(18(26(29)30)12-19(16)32-23)25-20(27)10-13-4-8-15(31-3)9-5-13/h4-5,8-9,11-12,14,21-22,24,28H,6-7,10H2,1-3H3,(H,25,27)/t21-,22+/m1/s1

IUPAC

N-[(3S,4R)-4-(cyclopropylamino)-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-6-yl]-2-(4-methoxyphenyl)acetamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat