[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[(4-fluorophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[(4-fluorophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl] 5-(4-fluoroanilino)-5-oxo-pentanoate CAS Name: 5-(4-fluoroanilino)-5-oxopentanoic acid [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate Traditional Name: 5-(4-fluoroanilino)-5-keto-valeric acid [2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl] ester Formula: C20H19FN2O7 MolecularWeight: 418.372463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN2O7/c1-29-18-10-5-13(11-16(18)23(27)28)17(24)12-30-20(26)4-2-3-19(25)22-15-8-6-14(21)7-9-15/h5-11H,2-4,12H2,1H3,(H,22,25)