4-(azepin-1-yl)-4-oxidanylidene-butanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(azepin-1-yl)-4-oxidanylidene-butanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(azepin-1-yl)-4-oxo-butanamide; 2,2,2-trifluoroacetic acid CAS Name: 4-(1-azepinyl)-4-oxobutanamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(azepin-1-yl)-4-oxobutanamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-(azepin-1-yl)-4-keto-butyramide; 2,2,2-trifluoroacetic acid Formula: C12H13F3N2O4 MolecularWeight: 306.23783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CN(C=C1)C(=O)CCC(=O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=CN(C=C1)C(=O)CCC(=O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C10H12N2O2.C2HF3O2/c11-9(13)5-6-10(14)12-7-3-1-2-4-8-12;3-2(4,5)1(6)7/h1-4,7-8H,5-6H2,(H2,11,13);(H,6,7)