N-(1-adamantyl)-4-bromanyl-3-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-4-bromanyl-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-bromo-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-bromo-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-bromo-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-bromo-3-nitro-benzamide Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O3/c18-14-2-1-13(6-15(14)20(22)23)16(21)19-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,19,21)