(2-chloranyl-6-fluoranyl-phenyl)methyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C18H20ClFN3O4+ MolecularWeight: 396.820503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=C(C=CC=C2Cl)F)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=C(C=CC=C2Cl)F)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClFN3O4/c1-11-7-16(23(25)26)17(27-3)8-15(11)21-18(24)10-22(2)9-12-13(19)5-4-6-14(12)20/h4-8H,9-10H2,1-3H3,(H,21,24)/p+1