3-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-4-nitro-benzenecarbonitrile

Systemtic Name: 3-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-4-nitro-benzenecarbonitrile Openeye Name: 3-[5-(3-cyanophenyl)isoxazol-3-yl]-4-nitro-benzonitrile CAS Name: 3-[5-(3-cyanophenyl)-3-isoxazolyl]-4-nitrobenzonitrile IUPAC Name: 3-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-4-nitrobenzonitrile Traditional Name: 3-[5-(3-cyanophenyl)isoxazol-3-yl]-4-nitro-benzonitrile Formula: C17H8N4O3 MolecularWeight: 316.27042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CC(=NO2)C3=C(C=CC(=C3)C#N)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CC(=NO2)C3=C(C=CC(=C3)C#N)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H8N4O3/c18-9-11-2-1-3-13(6-11)17-8-15(20-24-17)14-7-12(10-19)4-5-16(14)21(22)23/h1-8H