4,4-dimethyl-2-[2-(4-nitrophenyl)pent-4-yn-2-yl]-5H-1,3-oxazole

Systemtic Name: 4,4-dimethyl-2-[2-(4-nitrophenyl)pent-4-yn-2-yl]-5H-1,3-oxazole Openeye Name: 4,4-dimethyl-2-[1-methyl-1-(4-nitrophenyl)but-3-ynyl]-5H-oxazole CAS Name: 4,4-dimethyl-2-[2-(4-nitrophenyl)pent-4-yn-2-yl]-5H-oxazole IUPAC Name: 4,4-dimethyl-2-[2-(4-nitrophenyl)pent-4-yn-2-yl]-5H-1,3-oxazole Traditional Name: 4,4-dimethyl-2-[1-methyl-1-(4-nitrophenyl)but-3-ynyl]-2-oxazoline Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=N1)C(C)(CC#C)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(COC(=N1)C(C)(CC#C)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O3/c1-5-10-16(4,14-17-15(2,3)11-21-14)12-6-8-13(9-7-12)18(19)20/h1,6-9H,10-11H2,2-4H3