[2-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] propanoate

Systemtic Name: [2-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] propanoate Openeye Name: [2-methoxy-4-[(E)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]phenyl] propanoate CAS Name: propanoic acid [2-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenyl] propanoate Traditional Name: propionic acid [4-[(E)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C)C)OC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C)C)OC

InChI

InChI=1S/C22H22N2O4/c1-5-21(25)28-19-11-8-16(13-20(19)27-4)12-18-15(3)23-24(22(18)26)17-9-6-14(2)7-10-17/h6-13H,5H2,1-4H3/b18-12+