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

Systemtic Name: 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)vinyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)vinyl]-6-nitro-phenolate Formula: C17H13N2O5S- MolecularWeight: 357.36052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S/c1-23-11-4-5-12-15(9-11)25-16(18-12)6-3-10-7-13(19(21)22)17(20)14(8-10)24-2/h3-9,20H,1-2H3/p-1/b6-3+