[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H19FN2O6S MolecularWeight: 422.427363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN2O6S/c1-2-27-14-5-8-16(17(11-14)22(25)26)21-18(23)12-28-19(24)9-10-29-15-6-3-13(20)4-7-15/h3-8,11H,2,9-10,12H2,1H3,(H,21,23)