(3S)-6-tert-butyl-N'-(5-nitro-2-oxidanylidene-indol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: (3S)-6-tert-butyl-N'-(5-nitro-2-oxidanylidene-indol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: (3S)-6-tert-butyl-N'-(5-nitro-2-oxo-indol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: (3S)-6-tert-butyl-N'-(5-nitro-2-oxo-3-indolyl)-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: (3S)-6-tert-butyl-N'-(5-nitro-2-oxoindol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: (3S)-6-tert-butyl-N'-(2-keto-5-nitro-indol-3-yl)-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C21H20N4O6 MolecularWeight: 424.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NNC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC[C@H](O2)C(=O)NNC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-21(2,3)11-4-7-15-16(8-11)31-17(10-30-15)19(26)24-23-18-13-9-12(25(28)29)5-6-14(13)22-20(18)27/h4-9,17H,10H2,1-3H3,(H,24,26)(H,22,23,27)/t17-/m0/s1