4-[4-(1-adamantyl)-2-nitro-phenoxy]butanoic acid

Systemtic Name: 4-[4-(1-adamantyl)-2-nitro-phenoxy]butanoic acid Openeye Name: 4-[4-(1-adamantyl)-2-nitro-phenoxy]butanoic acid CAS Name: 4-[4-(1-adamantyl)-2-nitrophenoxy]butanoic acid IUPAC Name: 4-[4-(1-adamantyl)-2-nitrophenoxy]butanoic acid Traditional Name: 4-[4-(1-adamantyl)-2-nitro-phenoxy]butyric acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)OCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)OCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H25NO5/c22-19(23)2-1-5-26-18-4-3-16(9-17(18)21(24)25)20-10-13-6-14(11-20)8-15(7-13)12-20/h3-4,9,13-15H,1-2,5-8,10-12H2,(H,22,23)