methyl 4-[(E)-3-oxidanylidene-3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethoxy]prop-1-enyl]benzoic acid methyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5/c1-28-22(27)18-10-7-16(8-11-18)9-12-21(26)29-15-20(25)24-14-13-19(23-24)17-5-3-2-4-6-17/h2-12H,13-15H2,1H3/b12-9+