(4-methylphenyl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (4-methylphenyl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: p-tolylmethyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid (4-methylbenzyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-12-6-8-14(9-7-12)11-25-18(22)13(2)19-17(21)15-4-3-5-16(10-15)20(23)24/h3-10,13H,11H2,1-2H3,(H,19,21)/t13-/m0/s1