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

Systemtic Name: 4-(dimethylamino)-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide Openeye Name: 4-(dimethylamino)-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)benzamide IUPAC Name: 4-(dimethylamino)-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide Traditional Name: 4-(dimethylamino)-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-23(2)16-8-6-14(12-17(16)24(26)27)20(25)22-15-7-9-18-19(13-15)29-21(28-18)10-4-3-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,25)