N-[3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[(2-hydroxy-5-nitro-benzyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31N3O5/c1-13(2)20(21(28)24-12-17-8-18(26(30)31)3-4-19(17)27)25-22(29)23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,13-16,20,27H,5-7,9-12H2,1-2H3,(H,24,28)(H,25,29)