3-[4-methyl-2-(4-nitrophenyl)-5-oxidanylidene-1,3-oxazol-4-yl]propanenitrile

Systemtic Name: 3-[4-methyl-2-(4-nitrophenyl)-5-oxidanylidene-1,3-oxazol-4-yl]propanenitrile Openeye Name: 3-[4-methyl-2-(4-nitrophenyl)-5-oxo-oxazol-4-yl]propanenitrile CAS Name: 3-[4-methyl-2-(4-nitrophenyl)-5-oxo-4-oxazolyl]propanenitrile IUPAC Name: 3-[4-methyl-2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4-yl]propanenitrile Traditional Name: 3-[5-keto-4-methyl-2-(4-nitrophenyl)-2-oxazolin-4-yl]propionitrile Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4/c1-13(7-2-8-14)12(17)20-11(15-13)9-3-5-10(6-4-9)16(18)19/h3-6H,2,7H2,1H3