2-[4-[(E)-3-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[5-(2-bromo-4-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]acryloyl]phenoxy]acetonitrile Formula: C21H13BrN2O5 MolecularWeight: 453.24232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)OCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C=C/C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)OCC#N

InChI

InChI=1S/C21H13BrN2O5/c22-19-13-15(24(26)27)3-8-18(19)21-10-7-17(29-21)6-9-20(25)14-1-4-16(5-2-14)28-12-11-23/h1-10,13H,12H2/b9-6+