1-[[6-chloranyl-2-oxidanylidene-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-3-pyridin-4-yl-urea

Systemtic Name: 1-[[6-chloranyl-2-oxidanylidene-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-3-pyridin-4-yl-urea Openeye Name: 1-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-3-(4-pyridyl)urea CAS Name: 1-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-3-pyridin-4-ylurea IUPAC Name: 1-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-3-pyridin-4-ylurea Traditional Name: 1-[[6-chloro-2-keto-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-3-(4-pyridyl)urea Formula: C16H12ClF3N4O3 MolecularWeight: 400.73969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(OC(=O)N2)(CNC(=O)NC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(OC(=O)N2)(CNC(=O)NC3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C16H12ClF3N4O3/c17-9-1-2-12-11(7-9)15(16(18,19)20,27-14(26)24-12)8-22-13(25)23-10-3-5-21-6-4-10/h1-7H,8H2,(H,24,26)(H2,21,22,23,25)