N-[4-(1-adamantyl)-2-methyl-phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-(1-adamantyl)-2-methylphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(1-adamantyl)-2-methylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-3,5-dinitro-benzamide Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5/c1-14-4-19(24-11-15-5-16(12-24)7-17(6-15)13-24)2-3-22(14)25-23(28)18-8-20(26(29)30)10-21(9-18)27(31)32/h2-4,8-10,15-17H,5-7,11-13H2,1H3,(H,25,28)