(E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-pyrrolidino-phenyl)acrylonitrile Formula: C20H17N5O2 MolecularWeight: 359.38128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O2/c21-13-15(20-22-16-5-1-2-6-17(16)23-20)11-14-7-8-18(19(12-14)25(26)27)24-9-3-4-10-24/h1-2,5-8,11-12H,3-4,9-10H2,(H,22,23)/b15-11+