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

Systemtic Name: 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetate CAS Name: 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetate IUPAC Name: 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetate Formula: C17H11N2O5S- MolecularWeight: 355.34464

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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)/p-1/b8-3+