2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetic acid Formula: C17H12N2O5S MolecularWeight: 356.35258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC(=O)O

InChI

InChI=1S/C17H12N2O5S/c20-17(21)10-24-13-5-1-11(2-6-13)3-8-16-18-14-7-4-12(19(22)23)9-15(14)25-16/h1-9H,10H2,(H,20,21)/b8-3+