(2S)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: (2S)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]propanoate Openeye Name: (2S)-2-[(3-methyl-4-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[(3-methyl-4-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-methyl-4-nitro-benzoyl)amino]propionate Formula: C11H11N2O5- MolecularWeight: 251.21544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-6-5-8(3-4-9(6)13(17)18)10(14)12-7(2)11(15)16/h3-5,7H,1-2H3,(H,12,14)(H,15,16)/p-1/t7-/m0/s1