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

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-nitro-phenolate Formula: C16H8N3O3S- MolecularWeight: 322.31802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9N3O3S/c17-9-11(16-18-12-3-1-2-4-15(12)23-16)7-10-5-6-14(20)13(8-10)19(21)22/h1-8,20H/p-1/b11-7+