N-[(3R,4S)-4-methoxy-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[(3R,4S)-4-methoxy-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[(3R,4S)-3-hydroxy-4-methoxy-2,2-dimethyl-7-nitro-chroman-6-yl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[(3R,4S)-3-hydroxy-4-methoxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[(3R,4S)-3-hydroxy-4-methoxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-6-yl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[(3R,4S)-3-hydroxy-4-methoxy-2,2-dimethyl-7-nitro-chroman-6-yl]-2-(4-methoxyphenyl)acetamide Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)CC3=CC=C(C=C3)OC)OC)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)CC3=CC=C(C=C3)OC)OC)O)C

InChI

InChI=1S/C21H24N2O7/c1-21(2)20(25)19(29-4)14-10-15(16(23(26)27)11-17(14)30-21)22-18(24)9-12-5-7-13(28-3)8-6-12/h5-8,10-11,19-20,25H,9H2,1-4H3,(H,22,24)/t19-,20+/m0/s1