methyl (2S)-2-[1-(3-nitrophenyl)propylamino]propanoate

Systemtic Name: methyl (2S)-2-[1-(3-nitrophenyl)propylamino]propanoate Openeye Name: methyl (2S)-2-[1-(3-nitrophenyl)propylamino]propanoate CAS Name: (2S)-2-[1-(3-nitrophenyl)propylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[1-(3-nitrophenyl)propylamino]propanoate Traditional Name: (2S)-2-[1-(3-nitrophenyl)propylamino]propionic acid methyl ester Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-4-12(14-9(2)13(16)19-3)10-6-5-7-11(8-10)15(17)18/h5-9,12,14H,4H2,1-3H3/t9-,12?/m0/s1