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

Systemtic Name: (E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(3-nitrophenyl)acrylonitrile Formula: C12H9N5O2 MolecularWeight: 255.23216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=NC(=NN1)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C12H9N5O2/c1-8-14-12(16-15-8)10(7-13)5-9-3-2-4-11(6-9)17(18)19/h2-6H,1H3,(H,14,15,16)/b10-5+