N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-nitro-benzamide

Systemtic Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-nitro-benzamide Openeye Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-nitro-benzamide CAS Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-nitrobenzamide IUPAC Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-nitrobenzamide Traditional Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-nitro-benzamide Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-12(2)18(13-7-8-16-17(11-13)26-10-9-25-16)20-19(22)14-5-3-4-6-15(14)21(23)24/h3-8,11-12,18H,9-10H2,1-2H3,(H,20,22)/t18-/m0/s1