1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-3-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]urea

Systemtic Name: 1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-3-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]urea Openeye Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-3-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]urea CAS Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]urea IUPAC Name: 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea Traditional Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-3-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]urea Formula: C17H17ClF3N5O3 MolecularWeight: 431.79679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC(=O)NN(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNNC(=O)NN(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)C=CC1=O

InChI

InChI=1S/C17H17ClF3N5O3/c1-3-29-14-6-10(4-5-13(14)27)8-23-24-16(28)25-26(2)15-12(18)7-11(9-22-15)17(19,20)21/h4-9,23H,3H2,1-2H3,(H2,24,25,28)