[2-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-nitrobenzoate Openeye Name: [2-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C22H14BrNO5 MolecularWeight: 452.25426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H14BrNO5/c23-18-10-5-15(6-11-18)20(25)14-9-16-3-1-2-4-21(16)29-22(26)17-7-12-19(13-8-17)24(27)28/h1-14H/b14-9+