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

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C13H13FN2O6 MolecularWeight: 312.250523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2O6/c1-8(17)2-5-13(19)22-7-12(18)15-11-6-9(16(20)21)3-4-10(11)14/h3-4,6H,2,5,7H2,1H3,(H,15,18)