(2S)-2-[2-chloranyl-4-(1H-pyrazol-4-yl)phenoxy]propanoate

Systemtic Name: (2S)-2-[2-chloranyl-4-(1H-pyrazol-4-yl)phenoxy]propanoate Openeye Name: (2S)-2-[2-chloro-4-(1H-pyrazol-4-yl)phenoxy]propanoate CAS Name: (2S)-2-[2-chloro-4-(1H-pyrazol-4-yl)phenoxy]propanoate IUPAC Name: (2S)-2-[2-chloro-4-(1H-pyrazol-4-yl)phenoxy]propanoate Traditional Name: (2S)-2-[2-chloro-4-(1H-pyrazol-4-yl)phenoxy]propionate Formula: C12H10ClN2O3- MolecularWeight: 265.6724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=C(C=C(C=C1)C2=CNN=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=C(C=C(C=C1)C2=CNN=C2)Cl

InChI

InChI=1S/C12H11ClN2O3/c1-7(12(16)17)18-11-3-2-8(4-10(11)13)9-5-14-15-6-9/h2-7H,1H3,(H,14,15)(H,16,17)/p-1/t7-/m0/s1