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

Systemtic Name: 2-[2-methoxy-4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetonitrile Traditional Name: 2-[2-methoxy-4-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetonitrile Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C18H13N3O4S/c1-24-16-10-12(2-5-15(16)25-9-8-19)3-7-18-20-14-11-13(21(22)23)4-6-17(14)26-18/h2-7,10-11H,9H2,1H3/b7-3+