N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCCO4)O

Isomeric SMILES

C1CC(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCCO4)O

InChI

InChI=1S/C22H25N3O6/c26-17-5-2-15(3-6-17)24-19-7-4-16(25(28)29)12-18(19)22(27)23-13-14-1-8-20-21(11-14)31-10-9-30-20/h1,4,7-8,11-12,15,17,24,26H,2-3,5-6,9-10,13H2,(H,23,27)