2-(methylamino)-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide

Systemtic Name: 2-(methylamino)-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide Openeye Name: 2-(methylamino)-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide CAS Name: 2-(methylamino)-5-nitro-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)benzamide IUPAC Name: 2-(methylamino)-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide Traditional Name: 2-(methylamino)-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

InChI

InChI=1S/C20H21N3O5/c1-21-16-7-6-14(23(25)26)12-15(16)19(24)22-13-5-8-17-18(11-13)28-20(27-17)9-3-2-4-10-20/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,22,24)