[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19ClFN3O6 MolecularWeight: 451.832763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-])NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-])NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H19ClFN3O6/c1-11(2)18(24-19(27)13-5-3-4-6-14(13)21)20(28)31-10-17(26)23-15-8-7-12(22)9-16(15)25(29)30/h3-9,11,18H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1