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

Systemtic Name: methyl 3-[(4E)-4-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzoate Openeye Name: methyl 3-[(4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-5-oxo-3-propyl-pyrazol-1-yl]benzoate CAS Name: 3-[(4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-propyl-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-propylpyrazol-1-yl]benzoate Traditional Name: 3-[(4E)-4-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-5-keto-3-propyl-2-pyrazolin-1-yl]benzoic acid methyl ester Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN2O5/c1-5-8-21-19(12-16-13-20(26)23(33-11-6-2)22(14-16)31-3)24(29)28(27-21)18-10-7-9-17(15-18)25(30)32-4/h2,7,9-10,12-15H,5,8,11H2,1,3-4H3/b19-12+