[4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-2-cyano-3-keto-3-phenyl-prop-1-enyl]phenyl] ester Formula: C23H14BrNO3 MolecularWeight: 432.26616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)/C#N

InChI

InChI=1S/C23H14BrNO3/c24-20-8-4-7-18(14-20)23(27)28-21-11-9-16(10-12-21)13-19(15-25)22(26)17-5-2-1-3-6-17/h1-14H/b19-13+