propan-2-yl 2-chloranyl-5-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]benzoate

Systemtic Name: propan-2-yl 2-chloranyl-5-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]benzoate Openeye Name: isopropyl 2-chloro-5-[[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]amino]benzoate CAS Name: 2-chloro-5-[[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-[[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]benzoate Traditional Name: 2-chloro-5-[[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]amino]benzoic acid isopropyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)Cl)C(=O)OC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O3/c1-13(2)28-21(27)17-11-15(9-10-19(17)22)23-12-18-14(3)24-25(20(18)26)16-7-5-4-6-8-16/h4-13,23H,1-3H3/b18-12+