2-azanyl-3-[1-(2,3-dinitrophenyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(2,3-dinitrophenyl)imidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2,3-dinitrophenyl)imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[1-(2,3-dinitrophenyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2,3-dinitrophenyl)imidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2,3-dinitrophenyl)imidazol-4-yl]propionic acid Formula: C12H11N5O6 MolecularWeight: 321.24564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N2C=C(N=C2)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N2C=C(N=C2)CC(C(=O)O)N

InChI

InChI=1S/C12H11N5O6/c13-8(12(18)19)4-7-5-15(6-14-7)9-2-1-3-10(16(20)21)11(9)17(22)23/h1-3,5-6,8H,4,13H2,(H,18,19)