N-[5-(1-adamantyl)-2,3-dimethyl-phenyl]-3-bromanyl-5-nitro-2-oxidanyl-benzamide

Systemtic Name: N-[5-(1-adamantyl)-2,3-dimethyl-phenyl]-3-bromanyl-5-nitro-2-oxidanyl-benzamide Openeye Name: N-[5-(1-adamantyl)-2,3-dimethyl-phenyl]-3-bromo-2-hydroxy-5-nitro-benzamide CAS Name: N-[5-(1-adamantyl)-2,3-dimethylphenyl]-3-bromo-2-hydroxy-5-nitrobenzamide IUPAC Name: N-[5-(1-adamantyl)-2,3-dimethylphenyl]-3-bromo-2-hydroxy-5-nitrobenzamide Traditional Name: N-[5-(1-adamantyl)-2,3-dimethyl-phenyl]-3-bromo-2-hydroxy-5-nitro-benzamide Formula: C25H27BrN2O4 MolecularWeight: 499.39688

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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(=C5O)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC(=CC(=C5O)Br)[N+](=O)[O-])C

InChI

InChI=1S/C25H27BrN2O4/c1-13-3-18(25-10-15-4-16(11-25)6-17(5-15)12-25)7-22(14(13)2)27-24(30)20-8-19(28(31)32)9-21(26)23(20)29/h3,7-9,15-17,29H,4-6,10-12H2,1-2H3,(H,27,30)