(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(1-methylene-3-oxo-isoindolin-2-yl)acetate CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)acetic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)acetic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CN2C(=C)C3=CC=CC=C3C2=O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CN2C(=C)C3=CC=CC=C3C2=O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O3/c1-14-19(21(23)26(24-14)16-8-4-3-5-9-16)13-29-20(27)12-25-15(2)17-10-6-7-11-18(17)22(25)28/h3-11H,2,12-13H2,1H3