N-[4-(1-adamantyl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-(1-adamantyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3,5-dinitro-benzamide Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c27-22(17-8-20(25(28)29)10-21(9-17)26(30)31)24-19-3-1-18(2-4-19)23-11-14-5-15(12-23)7-16(6-14)13-23/h1-4,8-10,14-16H,5-7,11-13H2,(H,24,27)