2-[4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetonitrile Formula: C17H11N3O3S MolecularWeight: 337.35254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O3S/c18-9-10-23-14-5-1-12(2-6-14)3-8-17-19-15-11-13(20(21)22)4-7-16(15)24-17/h1-8,11H,10H2/b8-3+