3-[4-(4-nitrophenyl)imidazol-1-yl]propanoate

Systemtic Name: 3-[4-(4-nitrophenyl)imidazol-1-yl]propanoate Openeye Name: 3-[4-(4-nitrophenyl)imidazol-1-yl]propanoate CAS Name: 3-[4-(4-nitrophenyl)-1-imidazolyl]propanoate IUPAC Name: 3-[4-(4-nitrophenyl)imidazol-1-yl]propanoate Traditional Name: 3-[4-(4-nitrophenyl)imidazol-1-yl]propionate Formula: C12H10N3O4- MolecularWeight: 260.2255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN(C=N2)CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CN(C=N2)CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c16-12(17)5-6-14-7-11(13-8-14)9-1-3-10(4-2-9)15(18)19/h1-4,7-8H,5-6H2,(H,16,17)/p-1