2-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4,4-dimethyl-5H-oxazol-2-yl)methyl]-5-nitro-benzonitrile CAS Name: 2-[(4,4-dimethyl-5H-oxazol-2-yl)methyl]-5-nitrobenzonitrile IUPAC Name: 2-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-5-nitrobenzonitrile Traditional Name: 2-[(4,4-dimethyl-2-oxazolin-2-yl)methyl]-5-nitro-benzonitrile Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=N1)CC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1(COC(=N1)CC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C13H13N3O3/c1-13(2)8-19-12(15-13)6-9-3-4-11(16(17)18)5-10(9)7-14/h3-5H,6,8H2,1-2H3