(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid Formula: C11H15ClN2O2 MolecularWeight: 242.702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)O)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)O)Cl

InChI

InChI=1S/C11H15ClN2O2/c1-3-4-7-14-11(12)9(8(2)13-14)5-6-10(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)/b6-5+