(E)-3-(3-nitrophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-nitrophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-nitrophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile CAS Name: (E)-3-(3-nitrophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-nitrophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-nitrophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acrylonitrile Formula: C17H11N5O2 MolecularWeight: 317.30154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=N2)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=N2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H11N5O2/c18-11-14(9-12-5-4-8-15(10-12)22(23)24)17-19-16(20-21-17)13-6-2-1-3-7-13/h1-10H,(H,19,20,21)/b14-9+