5-methoxy-3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium

Systemtic Name: 5-methoxy-3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium Openeye Name: 5-methoxy-3-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-1,3-benzothiazol-3-ium CAS Name: 5-methoxy-3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium IUPAC Name: 5-methoxy-3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium Traditional Name: 5-methoxy-3-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-1,3-benzothiazol-3-ium Formula: C17H15N2O3S+ MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=C(C=C2)OC)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N2O3S/c1-18-15-11-14(22-2)7-8-16(15)23-17(18)9-6-12-4-3-5-13(10-12)19(20)21/h3-11H,1-2H3/q+1/b9-6+