(2S)-2-azanyl-3-[1-[(3-methyl-4-nitro-phenyl)methyl]imidazol-4-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[1-[(3-methyl-4-nitro-phenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[1-[(3-methyl-4-nitro-phenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: (2S)-2-amino-3-[1-[(3-methyl-4-nitrophenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[1-[(3-methyl-4-nitrophenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[1-(3-methyl-4-nitro-benzyl)imidazol-4-yl]propionic acid Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2C=C(N=C2)CC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)CN2C=C(N=C2)C[C@@H](C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4/c1-9-4-10(2-3-13(9)18(21)22)6-17-7-11(16-8-17)5-12(15)14(19)20/h2-4,7-8,12H,5-6,15H2,1H3,(H,19,20)/t12-/m0/s1