2-methoxy-6-[(E)-2-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]-4-nitro-phenol

Systemtic Name: 2-methoxy-6-[(E)-2-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]-4-nitro-phenol Openeye Name: 2-methoxy-6-[(E)-2-(3-methyl-4,5-dihydrothiazol-3-ium-2-yl)vinyl]-4-nitro-phenol CAS Name: 2-methoxy-6-[(E)-2-(3-methyl-4,5-dihydrothiazol-3-ium-2-yl)ethenyl]-4-nitrophenol IUPAC Name: 2-methoxy-6-[(E)-2-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]-4-nitrophenol Traditional Name: 2-methoxy-6-[(E)-2-(3-methyl-2-thiazolin-3-ium-2-yl)vinyl]-4-nitro-phenol Formula: C13H15N2O4S+ MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SCC1)C=CC2=CC(=CC(=C2O)OC)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(SCC1)/C=C/C2=CC(=CC(=C2O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4S/c1-14-5-6-20-12(14)4-3-9-7-10(15(17)18)8-11(19-2)13(9)16/h3-4,7-8H,5-6H2,1-2H3/p+1