N-[4-(1-adamantyl)-2-methyl-phenyl]-2-bromanyl-5-nitro-benzamide

Systemtic Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-2-bromanyl-5-nitro-benzamide Openeye Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-2-bromo-5-nitro-benzamide CAS Name: N-[4-(1-adamantyl)-2-methylphenyl]-2-bromo-5-nitrobenzamide IUPAC Name: N-[4-(1-adamantyl)-2-methylphenyl]-2-bromo-5-nitrobenzamide Traditional Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-2-bromo-5-nitro-benzamide Formula: C24H25BrN2O3 MolecularWeight: 469.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Br

InChI

InChI=1S/C24H25BrN2O3/c1-14-6-18(24-11-15-7-16(12-24)9-17(8-15)13-24)2-5-22(14)26-23(28)20-10-19(27(29)30)3-4-21(20)25/h2-6,10,15-17H,7-9,11-13H2,1H3,(H,26,28)