2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-4-nitro-phenolate

Systemtic Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-4-nitro-phenolate Openeye Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-4-nitro-phenolate CAS Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]-4-nitrophenolate IUPAC Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-4-nitrophenolate Traditional Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-4-nitro-phenolate Formula: C20H11N4O4- MolecularWeight: 371.32574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])[O-])/C#N

InChI

InChI=1S/C20H12N4O4/c21-11-12(20-22-16-3-1-2-4-17(16)23-20)9-14-6-8-19(28-14)15-10-13(24(26)27)5-7-18(15)25/h1-10,25H,(H,22,23)/p-1/b12-9+