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

Systemtic Name: [3-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate Openeye Name: [3-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-[(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(=CC(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C=CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H14BrNO5/c23-18-10-8-16(9-11-18)21(25)12-7-15-3-1-6-20(13-15)29-22(26)17-4-2-5-19(14-17)24(27)28/h1-14H/b12-7+