(5-ethanoyl-2-ethoxy-phenyl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)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-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)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-acetyl-2-ethoxy-benzyl) ester Formula: C23H25ClN2O7 MolecularWeight: 476.9068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C(C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)[C@H](C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H25ClN2O7/c1-5-32-20-9-7-15(14(4)27)10-17(20)12-33-23(29)21(13(2)3)25-22(28)16-6-8-18(24)19(11-16)26(30)31/h6-11,13,21H,5,12H2,1-4H3,(H,25,28)/t21-/m0/s1