N-[6-(1-adamantyloxy)pyridin-3-yl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[6-(1-adamantyloxy)pyridin-3-yl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[6-(1-adamantyloxy)-3-pyridyl]-2-chloro-5-nitro-benzamide CAS Name: N-[6-(1-adamantyloxy)-3-pyridinyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[6-(1-adamantyloxy)pyridin-3-yl]-2-chloro-5-nitrobenzamide Traditional Name: N-[6-(1-adamantyloxy)-3-pyridyl]-2-chloro-5-nitro-benzamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC4=NC=C(C=C4)NC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC4=NC=C(C=C4)NC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H22ClN3O4/c23-19-3-2-17(26(28)29)8-18(19)21(27)25-16-1-4-20(24-12-16)30-22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,8,12-15H,5-7,9-11H2,(H,25,27)