[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-bis(2-methoxyethyl)azanium

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-bis(2-methoxyethyl)azanium Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl]-bis(2-methoxyethyl)ammonium CAS Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl]-bis(2-methoxyethyl)ammonium IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl]-bis(2-methoxyethyl)azanium Traditional Name: [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl]-bis(2-methoxyethyl)ammonium Formula: C14H21FN3O5+ MolecularWeight: 330.332043

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CCOC)CC(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

COCC[NH+](CCOC)CC(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C14H20FN3O5/c1-22-7-5-17(6-8-23-2)10-14(19)16-12-4-3-11(15)9-13(12)18(20)21/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)/p+1