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

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C16H11N2O4S- MolecularWeight: 327.33454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H12N2O4S/c1-22-13-9-10(8-12(16(13)19)18(20)21)6-7-15-17-11-4-2-3-5-14(11)23-15/h2-9,19H,1H3/p-1/b7-6+