Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

Compound

	ID:	21
	Name:	alpha-cyano-5-nitro-2-furanacrylic acid, methyl ester
	Description:
	Labels:
	CAS:	836-37-3
	InChi Code:	InChI=1S/C9H6N2O5/c1-15-9(12)6(5-10)4-7-2-3-8(16-7)11(13)14/h2-4H,1H3/b6-4+

Properties

AMES: Ames test mutagenicity class

Value	Source or prediction
mutagen	experimental value
mutagen	Eq6: Model for α,β-unsaturated carbonyl compounds (Training set)