2-methyl-4-[4-(3-methyl-3-oxidanyl-but-1-ynyl)-3-nitro-phenyl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[4-(3-methyl-3-oxidanyl-but-1-ynyl)-3-nitro-phenyl]but-3-yn-2-ol Openeye Name: 4-[4-(3-hydroxy-3-methyl-but-1-ynyl)-3-nitro-phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-(3-hydroxy-3-methylbut-1-ynyl)-3-nitrophenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-(3-hydroxy-3-methylbut-1-ynyl)-3-nitrophenyl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-(3-hydroxy-3-methyl-but-1-ynyl)-3-nitro-phenyl]-2-methyl-but-3-yn-2-ol Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=C(C=C1)C#CC(C)(C)O)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C#CC1=CC(=C(C=C1)C#CC(C)(C)O)[N+](=O)[O-])O

InChI

InChI=1S/C16H17NO4/c1-15(2,18)9-7-12-5-6-13(8-10-16(3,4)19)14(11-12)17(20)21/h5-6,11,18-19H,1-4H3