3-[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)C2=C(OC(=CC2=O)C)O)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)C2=C(OC(=CC2=O)C)O)Cl

InChI

InChI=1S/C17H19ClN2O4/c1-4-5-8-20-16(18)12(11(3)19-20)6-7-13(21)15-14(22)9-10(2)24-17(15)23/h6-7,9,23H,4-5,8H2,1-3H3/b7-6+