(4-methanoyl-2-methoxy-phenyl) 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Openeye Name: (4-formyl-2-methoxy-phenyl) 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate CAS Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid (4-formyl-2-methoxyphenyl) ester IUPAC Name: (4-formyl-2-methoxyphenyl) 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Traditional Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid (4-formyl-2-methoxy-phenyl) ester Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N

InChI

InChI=1S/C21H16BrN3O4/c1-28-19-10-14(13-26)6-7-18(19)29-21(27)17-12-25(9-3-8-23)24-20(17)15-4-2-5-16(22)11-15/h2,4-7,10-13H,3,9H2,1H3