[4-[(E)-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-3-(2-hydroxy-5-nitro-phenyl)prop-2-enoyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-3-(2-hydroxy-5-nitrophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-3-(2-hydroxy-5-nitro-phenyl)acryloyl]phenyl] ester Formula: C20H13NO7 MolecularWeight: 379.31972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)C=CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=COC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H13NO7/c22-17(9-5-14-12-15(21(25)26)6-10-18(14)23)13-3-7-16(8-4-13)28-20(24)19-2-1-11-27-19/h1-12,23H/b9-5+