methyl 4-[(4E)-4-[(5-bromanyl-2-prop-2-enoxy-phenyl)methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzoate

Systemtic Name: methyl 4-[(4E)-4-[(5-bromanyl-2-prop-2-enoxy-phenyl)methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzoate Openeye Name: methyl 4-[(4E)-4-[(2-allyloxy-5-bromo-phenyl)methylene]-5-oxo-3-propyl-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-5-oxo-3-propyl-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4E)-4-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-5-oxo-3-propylpyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(2-allyloxy-5-bromo-benzylidene)-5-keto-3-propyl-2-pyrazolin-1-yl]benzoic acid methyl ester Formula: C24H23BrN2O4 MolecularWeight: 483.35442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC=C)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=C(C=CC(=C2)Br)OCC=C)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H23BrN2O4/c1-4-6-21-20(15-17-14-18(25)9-12-22(17)31-13-5-2)23(28)27(26-21)19-10-7-16(8-11-19)24(29)30-3/h5,7-12,14-15H,2,4,6,13H2,1,3H3/b20-15+