[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenyl] 5-nitrofuran-2-carboxylate Openeye Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenyl] ester Formula: C21H12N4O5 MolecularWeight: 400.34378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=C(O4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(O4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H12N4O5/c22-12-14(20-23-16-3-1-2-4-17(16)24-20)11-13-5-7-15(8-6-13)29-21(26)18-9-10-19(30-18)25(27)28/h1-11H,(H,23,24)/b14-11+