methyl 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: methyl 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: methyl 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylic acid methyl ester Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4/c1-27-22(26)16(13-23)11-17-14-25(18-5-3-2-4-6-18)24-21(17)15-7-8-19-20(12-15)29-10-9-28-19/h2-8,11-12,14H,9-10H2,1H3