2-[(E)-2-(3-methoxy-4-prop-2-enoxy-phenyl)ethenyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxy-phenyl)ethenyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-6-nitro-1,3-benzothiazole Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O4S/c1-3-10-25-16-8-4-13(11-17(16)24-2)5-9-19-20-15-7-6-14(21(22)23)12-18(15)26-19/h3-9,11-12H,1,10H2,2H3/b9-5+