4-[(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-nitro-phenolate Formula: C16H7ClN3O3S- MolecularWeight: 356.76308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C(C#N)C2=NC3=C(S2)C=CC(=C3)Cl)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1/C=C(\C#N)/C2=NC3=C(S2)C=CC(=C3)Cl)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H8ClN3O3S/c17-11-2-4-15-12(7-11)19-16(24-15)10(8-18)5-9-1-3-14(21)13(6-9)20(22)23/h1-7,21H/p-1/b10-5+