N-(1-adamantylmethyl)-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-nitro-benzamide Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3/c19-16-2-1-14(21(23)24)6-15(16)17(22)20-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,20,22)