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

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C18H17FN2O6S MolecularWeight: 408.400783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O6S/c1-26-13-4-7-15(16(10-13)21(24)25)20-17(22)11-27-18(23)8-9-28-14-5-2-12(19)3-6-14/h2-7,10H,8-9,11H2,1H3,(H,20,22)