[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-fluoranylphenoxy)-2-methyl-propanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-fluoranylphenoxy)-2-methyl-propanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-(4-fluorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-fluorophenoxy)-2-methylpropanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-fluorophenoxy)-2-methyl-propionic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H16FN3O6 MolecularWeight: 401.345243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)OC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)OC2=CC=C(C=C2)F

InChI

InChI=1S/C19H16FN3O6/c1-19(2,29-15-6-3-13(20)4-7-15)18(25)28-11-17(24)22-16-8-5-14(23(26)27)9-12(16)10-21/h3-9H,11H2,1-2H3,(H,22,24)