1-(1-adamantyl)-3-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-(2-furylmethylamino)-4-nitro-phenyl]urea CAS Name: 1-(1-adamantyl)-3-[3-(2-furanylmethylamino)-4-nitrophenyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-(furan-2-ylmethylamino)-4-nitrophenyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-(2-furfurylamino)-4-nitro-phenyl]urea Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CO5

InChI

InChI=1S/C22H26N4O4/c27-21(25-22-10-14-6-15(11-22)8-16(7-14)12-22)24-17-3-4-20(26(28)29)19(9-17)23-13-18-2-1-5-30-18/h1-5,9,14-16,23H,6-8,10-13H2,(H2,24,25,27)