2-(diethylamino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitro-benzamide

Systemtic Name: 2-(diethylamino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitro-benzamide Openeye Name: 2-(diethylamino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitro-benzamide CAS Name: 2-(diethylamino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitrobenzamide IUPAC Name: 2-(diethylamino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitrobenzamide Traditional Name: 2-(diethylamino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-nitro-benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C20H23N3O5/c1-3-22(4-2)17-10-9-14(23(25)26)11-16(17)20(24)21-12-15-13-27-18-7-5-6-8-19(18)28-15/h5-11,15H,3-4,12-13H2,1-2H3,(H,21,24)/t15-/m0/s1