4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C18H15N2O4S- MolecularWeight: 355.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)C=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)/C=C/C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4S/c1-10-6-13-16(7-11(10)2)25-17(19-13)5-4-12-8-14(20(22)23)18(21)15(9-12)24-3/h4-9,21H,1-3H3/p-1/b5-4+