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

Systemtic Name: methyl 4-[(4Z)-4-[(2-bromanyl-5-prop-2-enoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: methyl 4-[(4Z)-4-[(5-allyloxy-2-bromo-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[(2-bromo-5-prop-2-enoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4Z)-4-[(2-bromo-5-prop-2-enoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-4-(5-allyloxy-2-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)OCC=C)Br)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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