ethyl (2E)-2-[(4-nitrophenyl)hydrazinylidene]-3-oxidanylidene-4-thiocyanato-butanoate

Systemtic Name: ethyl (2E)-2-[(4-nitrophenyl)hydrazinylidene]-3-oxidanylidene-4-thiocyanato-butanoate Openeye Name: ethyl (2E)-2-[(4-nitrophenyl)hydrazono]-3-oxo-4-thiocyanato-butanoate CAS Name: (2E)-2-[(4-nitrophenyl)hydrazinylidene]-3-oxo-4-thiocyanatobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(4-nitrophenyl)hydrazinylidene]-3-oxo-4-thiocyanatobutanoate Traditional Name: (2E)-3-keto-2-[(4-nitrophenyl)hydrazono]-4-thiocyanato-butyric acid ethyl ester Formula: C13H12N4O5S MolecularWeight: 336.32318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC#N

Isomeric SMILES

CCOC(=O)/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/C(=O)CSC#N

InChI

InChI=1S/C13H12N4O5S/c1-2-22-13(19)12(11(18)7-23-8-14)16-15-9-3-5-10(6-4-9)17(20)21/h3-6,15H,2,7H2,1H3/b16-12+