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

Systemtic Name: methyl 4-[(4E)-4-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: methyl 4-[(4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid methyl ester Formula: C23H19BrN2O5 MolecularWeight: 483.31136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O5/c1-5-10-31-21-19(24)12-15(13-20(21)29-3)11-18-14(2)25-26(22(18)27)17-8-6-16(7-9-17)23(28)30-4/h1,6-9,11-13H,10H2,2-4H3/b18-11+