methyl (3E)-3-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]butanoate

Systemtic Name: methyl (3E)-3-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]butanoate Openeye Name: methyl (3E)-3-[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]butanoate CAS Name: (3E)-3-[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]butanoic acid methyl ester IUPAC Name: methyl (3E)-3-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]butanoate Traditional Name: (3E)-3-[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]butyric acid methyl ester Formula: C15H15ClN2O3 MolecularWeight: 306.7442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)CC(=O)OC)C2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O3/c1-9(8-13(19)21-3)14-10(2)17-18(15(14)20)12-6-4-11(16)5-7-12/h4-7H,8H2,1-3H3/b14-9+