ethyl 4-[(2-fluoranyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(2-fluoranyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(2-fluoro-5-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(2-fluoro-5-nitroanilino)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(2-fluoro-5-nitroanilino)-4-oxobutanoate Traditional Name: 4-(2-fluoro-5-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=C(C=CC(=C1)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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