(phenylmethyl) 5-[4-(3-ethoxy-2-fluoranyl-3-oxidanylidene-propanoyl)-2-fluoranyl-6-methoxy-3-nitro-phenyl]-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-[4-(3-ethoxy-2-fluoranyl-3-oxidanylidene-propanoyl)-2-fluoranyl-6-methoxy-3-nitro-phenyl]-1,3-dihydroisoindole-2-carboxylate Openeye Name: benzyl 5-[4-(3-ethoxy-2-fluoro-3-oxo-propanoyl)-2-fluoro-6-methoxy-3-nitro-phenyl]isoindoline-2-carboxylate CAS Name: 5-[4-(3-ethoxy-2-fluoro-1,3-dioxopropyl)-2-fluoro-6-methoxy-3-nitrophenyl]-1,3-dihydroisoindole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[4-(3-ethoxy-2-fluoro-3-oxopropanoyl)-2-fluoro-6-methoxy-3-nitrophenyl]-1,3-dihydroisoindole-2-carboxylate Traditional Name: 5-[4-(3-ethoxy-2-fluoro-3-keto-propanoyl)-2-fluoro-6-methoxy-3-nitro-phenyl]isoindoline-2-carboxylic acid benzyl ester Formula: C28H24F2N2O8 MolecularWeight: 554.495566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC(=C(C(=C1[N+](=O)[O-])F)C2=CC3=C(CN(C3)C(=O)OCC4=CC=CC=C4)C=C2)OC)F

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC(=C(C(=C1[N+](=O)[O-])F)C2=CC3=C(CN(C3)C(=O)OCC4=CC=CC=C4)C=C2)OC)F

InChI

InChI=1S/C28H24F2N2O8/c1-3-39-27(34)24(30)26(33)20-12-21(38-2)22(23(29)25(20)32(36)37)17-9-10-18-13-31(14-19(18)11-17)28(35)40-15-16-7-5-4-6-8-16/h4-12,24H,3,13-15H2,1-2H3