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

Systemtic Name: 4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]benzonitrile CAS Name: 4-[(E)-2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]benzonitrile IUPAC Name: 4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzonitrile Traditional Name: 4-[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]benzonitrile Formula: C13H9N3O3 MolecularWeight: 255.22886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O3/c1-9-13(16(17)18)12(19-15-9)7-6-10-2-4-11(8-14)5-3-10/h2-7H,1H3/b7-6+