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

Systemtic Name: methyl 4-[(4E)-4-[(5-bromanyl-2-prop-2-enoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: methyl 4-[(4E)-4-[(2-allyloxy-5-bromo-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4E)-4-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(2-allyloxy-5-bromo-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid methyl ester Formula: C22H19BrN2O4 MolecularWeight: 455.30126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC=C)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC\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/C22H19BrN2O4/c1-4-11-29-20-10-7-17(23)12-16(20)13-19-14(2)24-25(21(19)26)18-8-5-15(6-9-18)22(27)28-3/h4-10,12-13H,1,11H2,2-3H3/b19-13+