[4-(4-bromophenyl)-4-oxidanylidene-butyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C17H14BrNO6 MolecularWeight: 408.20016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNO6/c18-13-5-3-12(4-6-13)15(20)2-1-11-24-17(21)10-8-14-7-9-16(25-14)19(22)23/h3-10H,1-2,11H2/b10-8+