methyl (2Z,3E)-2-(nitromethylidene)-3-(phenylcarbamoylhydrazinylidene)butanoate

Systemtic Name: methyl (2Z,3E)-2-(nitromethylidene)-3-(phenylcarbamoylhydrazinylidene)butanoate Openeye Name: methyl (2Z,3E)-2-(nitromethylene)-3-(phenylcarbamoylhydrazono)butanoate CAS Name: (2Z,3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-2-(nitromethylidene)butanoic acid methyl ester IUPAC Name: methyl (2Z,3E)-2-(nitromethylidene)-3-(phenylcarbamoylhydrazinylidene)butanoate Traditional Name: (Z)-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-3-nitro-acrylic acid methyl ester Formula: C13H14N4O5 MolecularWeight: 306.27406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O5/c1-9(11(8-17(20)21)12(18)22-2)15-16-13(19)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,14,16,19)/b11-8-,15-9+