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

Systemtic Name: 2-azanyl-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[3-(2,4-dinitrophenyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[3-(2,4-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=NC=C2CC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C=NC=C2CC(C(=O)O)N

InChI

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