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

Systemtic Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-4-nitro-benzamide Openeye Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-4-nitro-benzamide CAS Name: N-[4-(1-adamantyl)-2-methylphenyl]-4-nitrobenzamide IUPAC Name: N-[4-(1-adamantyl)-2-methylphenyl]-4-nitrobenzamide Traditional Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-4-nitro-benzamide Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-15-8-20(24-12-16-9-17(13-24)11-18(10-16)14-24)4-7-22(15)25-23(27)19-2-5-21(6-3-19)26(28)29/h2-8,16-18H,9-14H2,1H3,(H,25,27)