4-(4,5-dinitronaphthalen-1-yl)-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-(4,5-dinitronaphthalen-1-yl)-2-methyl-but-3-yn-2-ol Openeye Name: 4-(4,5-dinitro-1-naphthyl)-2-methyl-but-3-yn-2-ol CAS Name: 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-3-butyn-2-ol IUPAC Name: 4-(4,5-dinitronaphthalen-1-yl)-2-methylbut-3-yn-2-ol Traditional Name: 4-(4,5-dinitro-1-naphthyl)-2-methyl-but-3-yn-2-ol Formula: C15H12N2O5 MolecularWeight: 300.26618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C2C=CC=C(C2=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C#CC1=C2C=CC=C(C2=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C15H12N2O5/c1-15(2,18)9-8-10-6-7-13(17(21)22)14-11(10)4-3-5-12(14)16(19)20/h3-7,18H,1-2H3