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

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-ethoxy-6-nitro-phenolate Formula: C18H12N3O4S- MolecularWeight: 366.37058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H13N3O4S/c1-2-25-15-9-11(8-14(17(15)22)21(23)24)7-12(10-19)18-20-13-5-3-4-6-16(13)26-18/h3-9,22H,2H2,1H3/p-1/b12-7+