ethyl 4-[(4-fluoranyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-fluoranyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(4-fluoro-3-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-fluoro-3-nitroanilino)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(4-fluoro-3-nitroanilino)-4-oxobutanoate Traditional Name: 4-(4-fluoro-3-nitro-anilino)-4-keto-butyric acid ethyl ester Formula: C12H13FN2O5 MolecularWeight: 284.240423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13FN2O5/c1-2-20-12(17)6-5-11(16)14-8-3-4-9(13)10(7-8)15(18)19/h3-4,7H,2,5-6H2,1H3,(H,14,16)