[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] (2R)-2-benzamido-3-methyl-butanoate CAS Name: (2R)-2-benzamido-3-methylbutanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate Traditional Name: (2R)-2-benzamido-3-methyl-butyric acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20FN3O6 MolecularWeight: 417.387703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O6/c1-12(2)18(23-19(26)13-6-4-3-5-7-13)20(27)30-11-17(25)22-14-8-9-15(21)16(10-14)24(28)29/h3-10,12,18H,11H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1