[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C20H21ClN2O5/c1-3-4-9-23-20(21)15(13(2)22-23)6-8-19(25)26-11-16(24)14-5-7-17-18(10-14)28-12-27-17/h5-8,10H,3-4,9,11-12H2,1-2H3/b8-6+