methyl (2E)-3-oxidanylidene-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]butanoate

Systemtic Name: methyl (2E)-3-oxidanylidene-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]butanoate Openeye Name: methyl (2E)-3-oxo-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylene]butanoate CAS Name: (2E)-3-oxo-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]butanoic acid methyl ester IUPAC Name: methyl (2E)-3-oxo-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]butanoate Traditional Name: (E)-2-acetyl-3-[4-(3-phenyl-2-pyrazolin-1-yl)phenyl]acrylic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=C(C=C1)N2CCC(=N2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\C1=CC=C(C=C1)N2CCC(=N2)C3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C21H20N2O3/c1-15(24)19(21(25)26-2)14-16-8-10-18(11-9-16)23-13-12-20(22-23)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3/b19-14+