N-[bis(azanyl)methylidene]-9-(trifluoromethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-9-(trifluoromethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-(diaminomethylene)-9-(trifluoromethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-(diaminomethylidene)-9-(trifluoromethyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(diaminomethylidene)-9-(trifluoromethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-(diaminomethylene)-9-(trifluoromethyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C13H12F3N3O2 MolecularWeight: 299.24849

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2C(F)(F)F)C=C1C(=O)N=C(N)N

Isomeric SMILES

C1COC2=C(C=CC=C2C(F)(F)F)C=C1C(=O)N=C(N)N

InChI

InChI=1S/C13H12F3N3O2/c14-13(15,16)9-3-1-2-7-6-8(4-5-21-10(7)9)11(20)19-12(17)18/h1-3,6H,4-5H2,(H4,17,18,19,20)