[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]-(4-fluoranyl-3-nitro-phenyl)azanium

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]-(4-fluoranyl-3-nitro-phenyl)azanium Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl]-(4-fluoro-3-nitro-phenyl)ammonium CAS Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-(4-fluoro-3-nitrophenyl)ammonium IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-(4-fluoro-3-nitrophenyl)azanium Traditional Name: [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl]-(4-fluoro-3-nitro-phenyl)ammonium Formula: C17H16FN4O3+ MolecularWeight: 343.332343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)C[NH2+]C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)C[NH2+]C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN4O3/c18-15-8-7-13(11-16(15)22(24)25)20-12-17(23)21(10-4-9-19)14-5-2-1-3-6-14/h1-3,5-8,11,20H,4,10,12H2/p+1