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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-chloro-3-methyl-1-(1-naphthylmethyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-chloro-3-methyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-chloro-3-methyl-1-(1-naphthylmethyl)pyrazol-4-yl]acrylic acid Formula: C18H15ClN2O2 MolecularWeight: 326.7769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)Cl)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)Cl)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H15ClN2O2/c1-12-15(9-10-17(22)23)18(19)21(20-12)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-10H,11H2,1H3,(H,22,23)/b10-9+