(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[5-(2-nitrophenyl)-2-furanyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[5-(2-nitrophenyl)-2-furyl]acrylamide Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=O)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O4/c21-13-15(20(26)23-8-3-10-24-11-9-22-14-24)12-16-6-7-19(29-16)17-4-1-2-5-18(17)25(27)28/h1-2,4-7,9,11-12,14H,3,8,10H2,(H,23,26)/b15-12+