[4-[(6-bromanyl-1,3-benzodioxol-5-yl)carbonylamino]phenyl] benzoate

Systemtic Name: [4-[(6-bromanyl-1,3-benzodioxol-5-yl)carbonylamino]phenyl] benzoate Openeye Name: [4-[(6-bromo-1,3-benzodioxole-5-carbonyl)amino]phenyl] benzoate CAS Name: benzoic acid [4-[[(6-bromo-1,3-benzodioxol-5-yl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(6-bromo-1,3-benzodioxole-5-carbonyl)amino]phenyl] benzoate Traditional Name: benzoic acid [4-[(6-bromopiperonyloyl)amino]phenyl] ester Formula: C21H14BrNO5 MolecularWeight: 440.24356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)NC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)NC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H14BrNO5/c22-17-11-19-18(26-12-27-19)10-16(17)20(24)23-14-6-8-15(9-7-14)28-21(25)13-4-2-1-3-5-13/h1-11H,12H2,(H,23,24)