3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: 3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: 3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoic acid Traditional Name: 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid Formula: C14H13ClN2O2 MolecularWeight: 276.71822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)O)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C14H13ClN2O2/c1-10-12(7-8-13(18)19)14(15)17(16-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19)