(4-methylphenyl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-methylphenyl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: p-tolylmethyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid (4-methylbenzyl) ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)[C@H](C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O5/c1-12(2)18(20(25)28-11-14-6-4-13(3)5-7-14)22-19(24)15-8-9-16(21)17(10-15)23(26)27/h4-10,12,18H,11H2,1-3H3,(H,22,24)/t18-/m0/s1