3-[1-[(3-nitrophenyl)methyl]-1,2,3-triazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[(3-nitrophenyl)methyl]-1,2,3-triazol-4-yl]propanoic acid Openeye Name: 3-[1-[(3-nitrophenyl)methyl]triazol-4-yl]propanoic acid CAS Name: 3-[1-[(3-nitrophenyl)methyl]-4-triazolyl]propanoic acid IUPAC Name: 3-[1-[(3-nitrophenyl)methyl]triazol-4-yl]propanoic acid Traditional Name: 3-[1-(3-nitrobenzyl)triazol-4-yl]propionic acid Formula: C12H12N4O4 MolecularWeight: 276.24808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=C(N=N2)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=C(N=N2)CCC(=O)O

InChI

InChI=1S/C12H12N4O4/c17-12(18)5-4-10-8-15(14-13-10)7-9-2-1-3-11(6-9)16(19)20/h1-3,6,8H,4-5,7H2,(H,17,18)