ethyl 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-prop-1-enyl]-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-prop-1-enyl]-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-prop-1-enyl]-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-1-phenylpyrazole-3-carboxylate Traditional Name: 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-keto-prop-1-enyl]-1-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C=CC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C=C1/C=C/C(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O5/c1-2-28-23(27)22-17(15-25(24-22)18-6-4-3-5-7-18)8-10-19(26)16-9-11-20-21(14-16)30-13-12-29-20/h3-11,14-15H,2,12-13H2,1H3/b10-8+