(E)-2-(1,3-benzodioxol-5-yl)-3-[5-(4-methyl-3-nitro-phenyl)furan-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[5-(4-methyl-3-nitro-phenyl)furan-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[5-(4-methyl-3-nitro-phenyl)-2-furyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[5-(4-methyl-3-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[5-(4-methyl-3-nitro-phenyl)-2-furyl]acrylonitrile Formula: C21H14N2O5 MolecularWeight: 374.34626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C(/C#N)\C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5/c1-13-2-3-15(9-18(13)23(24)25)19-7-5-17(28-19)8-16(11-22)14-4-6-20-21(10-14)27-12-26-20/h2-10H,12H2,1H3/b16-8-