N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(4-methanoyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(4-methanoyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(4-formyl-2-nitro-phenoxy)acetamide CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-formyl-2-nitrophenoxy)acetamide IUPAC Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-formyl-2-nitrophenoxy)acetamide Traditional Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(4-formyl-2-nitro-phenoxy)acetamide Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-13(2)21(15-4-6-18-19(10-15)29-8-7-28-18)22-20(25)12-30-17-5-3-14(11-24)9-16(17)23(26)27/h3-6,9-11,13,21H,7-8,12H2,1-2H3,(H,22,25)/t21-/m1/s1