2-oxidanylidenepropyl (E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-oxidanylidenepropyl (E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Openeye Name: acetonyl (E)-3-[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-propenoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]acrylic acid acetonyl ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)OCC(=O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)OCC(=O)C)Cl

InChI

InChI=1S/C18H19ClN2O3/c1-12-4-6-15(7-5-12)10-21-18(19)16(14(3)20-21)8-9-17(23)24-11-13(2)22/h4-9H,10-11H2,1-3H3/b9-8+