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

Systemtic Name: [2-methoxy-5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl]methyl ethanoate Openeye Name: [2-methoxy-5-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl]methyl acetate CAS Name: acetic acid [2-methoxy-5-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl]methyl ester IUPAC Name: [2-methoxy-5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]methyl acetate Traditional Name: acetic acid [5-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-methoxy-benzyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)COC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC)COC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-14-19(21(25)23(22-14)18-7-5-4-6-8-18)12-16-9-10-20(26-3)17(11-16)13-27-15(2)24/h4-12H,13H2,1-3H3/b19-12+