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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-methyl-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C18H21FN3O4+ MolecularWeight: 362.375443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C18H20FN3O4/c1-12-8-14(22(24)25)5-6-16(12)20-18(23)11-21(2)10-13-4-7-17(26-3)15(19)9-13/h4-9H,10-11H2,1-3H3,(H,20,23)/p+1