4-(azepan-1-yl)-3-nitro-N-[2,2,2-tris(fluoranyl)ethyl]benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-[2,2,2-tris(fluoranyl)ethyl]benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(2,2,2-trifluoroethyl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-(2,2,2-trifluoroethyl)benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-(2,2,2-trifluoroethyl)benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-(2,2,2-trifluoroethyl)benzamide Formula: C15H18F3N3O3 MolecularWeight: 345.31693

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H18F3N3O3/c16-15(17,18)10-19-14(22)11-5-6-12(13(9-11)21(23)24)20-7-3-1-2-4-8-20/h5-6,9H,1-4,7-8,10H2,(H,19,22)