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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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