4-imidazol-1-yl-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Openeye Name: 4-imidazol-1-yl-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)benzamide IUPAC Name: 4-imidazol-1-yl-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide Traditional Name: 4-imidazol-1-yl-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5/c26-20(14-3-5-16(17(11-14)25(27)28)24-10-9-22-13-24)23-15-4-6-18-19(12-15)30-21(29-18)7-1-2-8-21/h3-6,9-13H,1-2,7-8H2,(H,23,26)