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

Systemtic Name: methyl 4-[(4E)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: methyl 4-[(4E)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4E)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-5-keto-4-(3-methoxy-4-propargyloxy-benzylidene)-3-methyl-2-pyrazolin-1-yl]benzoic acid methyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H20N2O5/c1-5-12-30-20-11-6-16(14-21(20)28-3)13-19-15(2)24-25(22(19)26)18-9-7-17(8-10-18)23(27)29-4/h1,6-11,13-14H,12H2,2-4H3/b19-13+