2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]-3-oxidanyl-inden-1-one

Systemtic Name: 2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]-3-oxidanyl-inden-1-one Openeye Name: 3-hydroxy-2-[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]inden-1-one CAS Name: 3-hydroxy-2-[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enyl]-1-indenone IUPAC Name: 3-hydroxy-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]inden-1-one Traditional Name: 3-hydroxy-2-[(E)-3-(5-nitro-2-furyl)acryloyl]inden-1-one Formula: C16H9NO6 MolecularWeight: 311.24576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C2=O)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C2=O)C(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])O

InChI

InChI=1S/C16H9NO6/c18-12(7-5-9-6-8-13(23-9)17(21)22)14-15(19)10-3-1-2-4-11(10)16(14)20/h1-8,19H/b7-5+