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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C18H21FN3O5+ MolecularWeight: 378.374843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O5/c1-21(10-12-4-7-16(26-2)14(19)8-12)11-18(23)20-15-6-5-13(22(24)25)9-17(15)27-3/h4-9H,10-11H2,1-3H3,(H,20,23)/p+1