methyl 2-[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]oxypropanoate

Systemtic Name: methyl 2-[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]oxypropanoate Openeye Name: methyl 2-[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]oxypropanoate CAS Name: 2-[(E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-oxoprop-2-enoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]oxypropanoate Traditional Name: 2-[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]oxypropionic acid methyl ester Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC(C)C(=O)OC)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H19ClN2O4/c1-12-15(9-10-16(22)25-13(2)18(23)24-3)17(19)21(20-12)11-14-7-5-4-6-8-14/h4-10,13H,11H2,1-3H3/b10-9+