4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-6-nitro-benzene-1,3-diolate

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-6-nitro-benzene-1,3-diolate Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-6-nitro-benzene-1,3-diolate CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-6-nitrobenzene-1,3-diolate IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-6-nitrobenzene-1,3-diolate Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-6-nitro-benzene-1,3-diolate Formula: C16H7N3O4S-2 MolecularWeight: 337.30948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=C(C=C3[O-])[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=C(C=C3[O-])[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H9N3O4S/c17-8-10(16-18-11-3-1-2-4-15(11)24-16)5-9-6-12(19(22)23)14(21)7-13(9)20/h1-7,20-21H/p-2/b10-5+