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

Systemtic Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-4-nitro-phenolate Openeye Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-4-nitro-phenolate CAS Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-4-nitrophenolate IUPAC Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-4-nitrophenolate Traditional Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-4-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=C(C=CC(=C3)[N+](=O)[O-])[O-])C#N

Isomeric SMILES

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

InChI

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