(2S)-4-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4,5-dimethyl-2-nitro-anilino)-2-(4-fluorophenyl)-4-oxo-butanoate CAS Name: (2S)-4-(4,5-dimethyl-2-nitroanilino)-2-(4-fluorophenyl)-4-oxobutanoate IUPAC Name: (2S)-4-(4,5-dimethyl-2-nitroanilino)-2-(4-fluorophenyl)-4-oxobutanoate Traditional Name: (2S)-4-(4,5-dimethyl-2-nitro-anilino)-2-(4-fluorophenyl)-4-keto-butyrate Formula: C18H16FN2O5- MolecularWeight: 359.328443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CC(C2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[C@@H](C2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C18H17FN2O5/c1-10-7-15(16(21(25)26)8-11(10)2)20-17(22)9-14(18(23)24)12-3-5-13(19)6-4-12/h3-8,14H,9H2,1-2H3,(H,20,22)(H,23,24)/p-1/t14-/m0/s1