methyl 5-[[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[(E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acryloyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC=C(O2)C(=O)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC=C(O2)C(=O)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O5/c1-13-16(19(21)23(22-13)14-6-4-3-5-7-14)9-11-18(24)27-12-15-8-10-17(28-15)20(25)26-2/h3-11H,12H2,1-2H3/b11-9+