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

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C16H17FN3O3+ MolecularWeight: 318.322883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16FN3O3/c1-19(10-12-5-3-2-4-6-12)11-16(21)18-13-7-8-14(17)15(9-13)20(22)23/h2-9H,10-11H2,1H3,(H,18,21)/p+1