2-[[2-(1-adamantylamino)-1,3-thiazol-5-yl]oxy]-6-nitro-phenol

Systemtic Name: 2-[[2-(1-adamantylamino)-1,3-thiazol-5-yl]oxy]-6-nitro-phenol Openeye Name: 2-[2-(1-adamantylamino)thiazol-5-yl]oxy-6-nitro-phenol CAS Name: 2-[[2-(1-adamantylamino)-5-thiazolyl]oxy]-6-nitrophenol IUPAC Name: 2-[[2-(1-adamantylamino)-1,3-thiazol-5-yl]oxy]-6-nitrophenol Traditional Name: 2-[2-(1-adamantylamino)thiazol-5-yl]oxy-6-nitro-phenol Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=C(S4)OC5=CC=CC(=C5O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=C(S4)OC5=CC=CC(=C5O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c23-17-14(22(24)25)2-1-3-15(17)26-16-10-20-18(27-16)21-19-7-11-4-12(8-19)6-13(5-11)9-19/h1-3,10-13,23H,4-9H2,(H,20,21)