[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamidopropanoate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamidopropanoate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] (2R)-2-benzamidopropanoate CAS Name: (2R)-2-benzamidopropanoic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] (2R)-2-benzamidopropanoate Traditional Name: (2R)-2-benzamidopropionic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H16FN3O6 MolecularWeight: 389.334543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H16FN3O6/c1-11(20-17(24)12-5-3-2-4-6-12)18(25)28-10-16(23)21-14-8-7-13(19)9-15(14)22(26)27/h2-9,11H,10H2,1H3,(H,20,24)(H,21,23)/t11-/m1/s1