(2E)-2-(azepan-2-ylidene)-N-(4-fluorophenyl)-2-nitro-ethanamide

Systemtic Name: (2E)-2-(azepan-2-ylidene)-N-(4-fluorophenyl)-2-nitro-ethanamide Openeye Name: (2E)-2-(azepan-2-ylidene)-N-(4-fluorophenyl)-2-nitro-acetamide CAS Name: (2E)-2-(2-azepanylidene)-N-(4-fluorophenyl)-2-nitroacetamide IUPAC Name: (2E)-2-(azepan-2-ylidene)-N-(4-fluorophenyl)-2-nitroacetamide Traditional Name: (2E)-2-(azepan-2-ylidene)-N-(4-fluorophenyl)-2-nitro-acetamide Formula: C14H16FN3O3 MolecularWeight: 293.293543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-])NCC1

Isomeric SMILES

C1CC/C(=C(/C(=O)NC2=CC=C(C=C2)F)\[N+](=O)[O-])/NCC1

InChI

InChI=1S/C14H16FN3O3/c15-10-5-7-11(8-6-10)17-14(19)13(18(20)21)12-4-2-1-3-9-16-12/h5-8,16H,1-4,9H2,(H,17,19)/b13-12+