ethyl 4-[[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]butanoate

Systemtic Name: ethyl 4-[[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]butanoate Openeye Name: ethyl 4-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyleneamino]butanoate CAS Name: 4-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methylideneamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methylideneamino]butanoate Traditional Name: 4-[[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]methyleneamino]butyric acid ethyl ester Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN=CC1C(=NN(C1=O)C2=CC(=CC=C2)Cl)C

Isomeric SMILES

CCOC(=O)CCCN=CC1C(=NN(C1=O)C2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C17H20ClN3O3/c1-3-24-16(22)8-5-9-19-11-15-12(2)20-21(17(15)23)14-7-4-6-13(18)10-14/h4,6-7,10-11,15H,3,5,8-9H2,1-2H3