ethyl 2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-[(4-fluorobenzyl)carbamoyl]-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C18H17FN2O7S MolecularWeight: 424.400183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O7S/c1-2-28-17(22)11-29(26,27)16-8-5-13(9-15(16)21(24)25)18(23)20-10-12-3-6-14(19)7-4-12/h3-9H,2,10-11H2,1H3,(H,20,23)