N-(2-adamantyl)-4-(furan-2-ylmethylamino)-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-(furan-2-ylmethylamino)-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-(2-furylmethylamino)-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-(2-furanylmethylamino)-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-(furan-2-ylmethylamino)-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-4-(2-furfurylamino)-3-nitro-benzamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=C(C=C4)NCC5=CC=CO5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=C(C=C4)NCC5=CC=CO5)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c26-22(24-21-16-7-13-6-14(9-16)10-17(21)8-13)15-3-4-19(20(11-15)25(27)28)23-12-18-2-1-5-29-18/h1-5,11,13-14,16-17,21,23H,6-10,12H2,(H,24,26)