methyl (3R,4S)-4-(4-fluorophenyl)-5-nitro-3-phenyl-pentanoate

Systemtic Name: methyl (3R,4S)-4-(4-fluorophenyl)-5-nitro-3-phenyl-pentanoate Openeye Name: methyl (3R,4S)-4-(4-fluorophenyl)-5-nitro-3-phenyl-pentanoate CAS Name: (3R,4S)-4-(4-fluorophenyl)-5-nitro-3-phenylpentanoic acid methyl ester IUPAC Name: methyl (3R,4S)-4-(4-fluorophenyl)-5-nitro-3-phenylpentanoate Traditional Name: (3R,4S)-4-(4-fluorophenyl)-5-nitro-3-phenyl-valeric acid methyl ester Formula: C18H18FNO4 MolecularWeight: 331.338223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)[C@H](C[N+](=O)[O-])C2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO4/c1-24-18(21)11-16(13-5-3-2-4-6-13)17(12-20(22)23)14-7-9-15(19)10-8-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1