(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C22H17BrN2O4 MolecularWeight: 453.28538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C22H17BrN2O4/c23-17-7-8-19-16(10-22(27)29-20(19)11-17)14-28-21(26)9-6-15-12-24-25(13-15)18-4-2-1-3-5-18/h1-5,7-8,10-13H,6,9,14H2