(2-chloranyl-6-fluoranyl-phenyl)methyl-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C17H18ClFN3O4+ MolecularWeight: 382.793923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17ClFN3O4/c1-21(9-12-13(18)4-3-5-14(12)19)10-17(23)20-15-7-6-11(22(24)25)8-16(15)26-2/h3-8H,9-10H2,1-2H3,(H,20,23)/p+1