[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-nitrophenyl)methyl]azanium

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-nitrophenyl)methyl]azanium Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-[(2-nitrophenyl)methyl]ammonium CAS Name: [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2-nitrophenyl)methyl]ammonium IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2-nitrophenyl)methyl]azanium Traditional Name: [2-(4-fluoroanilino)-2-keto-ethyl]-methyl-(2-nitrobenzyl)ammonium Formula: C16H17FN3O3+ MolecularWeight: 318.322883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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