2-chloranyl-5-nitro-N-[4-(3-phenyl-1-adamantyl)phenyl]benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-[4-(3-phenyl-1-adamantyl)phenyl]benzamide Openeye Name: 2-chloro-5-nitro-N-[4-(3-phenyl-1-adamantyl)phenyl]benzamide CAS Name: 2-chloro-5-nitro-N-[4-(3-phenyl-1-adamantyl)phenyl]benzamide IUPAC Name: 2-chloro-5-nitro-N-[4-(3-phenyl-1-adamantyl)phenyl]benzamide Traditional Name: 2-chloro-5-nitro-N-[4-(3-phenyl-1-adamantyl)phenyl]benzamide Formula: C29H27ClN2O3 MolecularWeight: 486.98928

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)C6=CC=CC=C6

InChI

InChI=1S/C29H27ClN2O3/c30-26-11-10-24(32(34)35)13-25(26)27(33)31-23-8-6-22(7-9-23)29-16-19-12-20(17-29)15-28(14-19,18-29)21-4-2-1-3-5-21/h1-11,13,19-20H,12,14-18H2,(H,31,33)