(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17ClN2O4/c21-17-8-14(9-18-20(17)26-7-6-25-18)13-27-19(24)10-15-11-22-23(12-15)16-4-2-1-3-5-16/h1-5,8-9,11-12H,6-7,10,13H2