5-chloranyl-3,6-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-3,6-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-3,6-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]benzofuran-2-carboxamide CAS Name: 5-chloro-3,6-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 5-chloro-3,6-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-3,6-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]coumarilamide Formula: C18H12ClF3N2O4 MolecularWeight: 412.74709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C18H12ClF3N2O4/c1-8-5-15-11(7-12(8)19)9(2)16(28-15)17(25)23-13-4-3-10(18(20,21)22)6-14(13)24(26)27/h3-7H,1-2H3,(H,23,25)