2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylic acid 2-phthalimidoethyl ester Formula: C30H23N3O6 MolecularWeight: 521.52012

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C30H23N3O6/c34-27(39-15-14-32-29(35)23-8-4-5-9-24(23)30(32)36)13-11-21-19-33(22-6-2-1-3-7-22)31-28(21)20-10-12-25-26(18-20)38-17-16-37-25/h1-13,18-19H,14-17H2