(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C23H22ClN3O6 MolecularWeight: 471.89028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C(C(C)C)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)[C@H](C(C)C)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H22ClN3O6/c1-13(2)20(26-21(28)16-9-10-17(24)19(11-16)27(30)31)23(29)32-12-18-14(3)33-22(25-18)15-7-5-4-6-8-15/h4-11,13,20H,12H2,1-3H3,(H,26,28)/t20-/m0/s1