N-(2,3-dimethylcyclohexyl)-3-nitro-4-(oxolan-2-ylmethylamino)benzamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-3-nitro-4-(oxolan-2-ylmethylamino)benzamide Openeye Name: N-(2,3-dimethylcyclohexyl)-3-nitro-4-(tetrahydrofuran-2-ylmethylamino)benzamide CAS Name: N-(2,3-dimethylcyclohexyl)-3-nitro-4-(2-oxolanylmethylamino)benzamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-3-nitro-4-(oxolan-2-ylmethylamino)benzamide Traditional Name: N-(2,3-dimethylcyclohexyl)-3-nitro-4-(tetrahydrofurfurylamino)benzamide Formula: C20H29N3O4 MolecularWeight: 375.46196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O4/c1-13-5-3-7-17(14(13)2)22-20(24)15-8-9-18(19(11-15)23(25)26)21-12-16-6-4-10-27-16/h8-9,11,13-14,16-17,21H,3-7,10,12H2,1-2H3,(H,22,24)