(3E)-3-(2-cyanoethanoylhydrazinylidene)-N-(3-nitrophenyl)butanamide

Systemtic Name: (3E)-3-(2-cyanoethanoylhydrazinylidene)-N-(3-nitrophenyl)butanamide Openeye Name: (3E)-3-[(2-cyanoacetyl)hydrazono]-N-(3-nitrophenyl)butanamide CAS Name: (3E)-3-[(2-cyano-1-oxoethyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide IUPAC Name: (3E)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide Traditional Name: (3E)-3-[(2-cyanoacetyl)hydrazono]-N-(3-nitrophenyl)butyramide Formula: C13H13N5O4 MolecularWeight: 303.27342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC#N)CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)CC#N)/CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4/c1-9(16-17-12(19)5-6-14)7-13(20)15-10-3-2-4-11(8-10)18(21)22/h2-4,8H,5,7H2,1H3,(H,15,20)(H,17,19)/b16-9+