[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-3-nitro-phenyl] ethanoate

Systemtic Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-3-nitro-phenyl] ethanoate Openeye Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-3-nitro-phenyl] acetate CAS Name: acetic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxy-3-nitrophenyl] ester IUPAC Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxy-3-nitrophenyl] acetate Traditional Name: acetic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-3-nitro-phenyl] ester Formula: C19H14N4O5 MolecularWeight: 378.33826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)OC1=C(C(=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H14N4O5/c1-11(24)28-16-8-7-12(17(23(25)26)18(16)27-2)9-13(10-20)19-21-14-5-3-4-6-15(14)22-19/h3-9H,1-2H3,(H,21,22)/b13-9+