methyl (2S)-3-methyl-2-[(4-nitrophenyl)methylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[(4-nitrophenyl)methylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[(4-nitrophenyl)methylamino]butanoate CAS Name: (2S)-3-methyl-2-[(4-nitrophenyl)methylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[(4-nitrophenyl)methylamino]butanoate Traditional Name: (2S)-3-methyl-2-[(4-nitrobenzyl)amino]butyric acid methyl ester Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4/c1-9(2)12(13(16)19-3)14-8-10-4-6-11(7-5-10)15(17)18/h4-7,9,12,14H,8H2,1-3H3/t12-/m0/s1