ethyl 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-butanoate CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-3-oxobutanoate Traditional Name: 2-acetyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C24H22N2O5/c1-3-29-24(28)20(16(2)27)13-18-15-26(19-7-5-4-6-8-19)25-23(18)17-9-10-21-22(14-17)31-12-11-30-21/h4-10,13-15H,3,11-12H2,1-2H3