methyl 2-chloranyl-5-[5-[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: methyl 2-chloranyl-5-[5-[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]benzoate Openeye Name: methyl 2-chloro-5-[5-[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-furyl]benzoate CAS Name: 2-chloro-5-[5-[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[5-[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 2-chloro-5-[5-[(Z)-[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-furyl]benzoic acid methyl ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)OC)C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)OC)/C(=N2)C)C

InChI

InChI=1S/C25H21ClN2O4/c1-14-5-7-18(11-15(14)2)28-24(29)20(16(3)27-28)13-19-8-10-23(32-19)17-6-9-22(26)21(12-17)25(30)31-4/h5-13H,1-4H3/b20-13-