(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H15BrN2O4 MolecularWeight: 439.2588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H15BrN2O4/c1-13-18(11-23-24(13)16-5-3-2-4-6-16)21(26)27-12-14-9-20(25)28-19-10-15(22)7-8-17(14)19/h2-11H,12H2,1H3