4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)vinyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)vinyl]-2-ethoxy-6-nitro-phenolate Formula: C19H15N4O5- MolecularWeight: 379.3462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C19H16N4O5/c1-3-28-17-8-11(7-16(18(17)24)23(25)26)6-12(10-20)19-21-14-5-4-13(27-2)9-15(14)22-19/h4-9,24H,3H2,1-2H3,(H,21,22)/p-1/b12-6+