4-[2-azanyl-5-nitro-4-(2-phenylethynyl)phenyl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[2-azanyl-5-nitro-4-(2-phenylethynyl)phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[2-amino-5-nitro-4-(2-phenylethynyl)phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[2-amino-5-nitro-4-(2-phenylethynyl)phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[2-amino-5-nitro-4-(2-phenylethynyl)phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[2-amino-5-nitro-4-(2-phenylethynyl)phenyl]-2-methyl-but-3-yn-2-ol Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C(C=C(C(=C1)[N+](=O)[O-])C#CC2=CC=CC=C2)N)O

Isomeric SMILES

CC(C)(C#CC1=C(C=C(C(=C1)[N+](=O)[O-])C#CC2=CC=CC=C2)N)O

InChI

InChI=1S/C19H16N2O3/c1-19(2,22)11-10-15-13-18(21(23)24)16(12-17(15)20)9-8-14-6-4-3-5-7-14/h3-7,12-13,22H,20H2,1-2H3