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

Systemtic Name: (2S)-2-[(4-methyl-3-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(4-methyl-3-nitro-benzoyl)amino]propanoic acid CAS Name: (2S)-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(4-methyl-3-nitrobenzoyl)amino]propanoic acid Traditional Name: (2S)-2-[(4-methyl-3-nitro-benzoyl)amino]propionic acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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