N-[6-(2-adamantyloxy)-5-chloranyl-pyridin-3-yl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[6-(2-adamantyloxy)-5-chloranyl-pyridin-3-yl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[6-(2-adamantyloxy)-5-chloro-3-pyridyl]-2-chloro-5-nitro-benzamide CAS Name: N-[6-(2-adamantyloxy)-5-chloro-3-pyridinyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[6-(2-adamantyloxy)-5-chloropyridin-3-yl]-2-chloro-5-nitrobenzamide Traditional Name: N-[6-(2-adamantyloxy)-5-chloro-3-pyridyl]-2-chloro-5-nitro-benzamide Formula: C22H21Cl2N3O4 MolecularWeight: 462.32584

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC4=C(C=C(C=N4)NC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC4=C(C=C(C=N4)NC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O4/c23-18-2-1-16(27(29)30)9-17(18)21(28)26-15-8-19(24)22(25-10-15)31-20-13-4-11-3-12(6-13)7-14(20)5-11/h1-2,8-14,20H,3-7H2,(H,26,28)