methyl 2-[4-[1-[(4-methylphenyl)amino]ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-[1-[(4-methylphenyl)amino]ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[4-[1-(4-methylanilino)ethylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[4-[1-(4-methylanilino)ethylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1-(4-methylanilino)ethylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[5-keto-1-phenyl-4-[1-(p-toluidino)ethylidene]-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=C2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC)C

InChI

InChI=1S/C21H21N3O3/c1-14-9-11-16(12-10-14)22-15(2)20-18(13-19(25)27-3)23-24(21(20)26)17-7-5-4-6-8-17/h4-12,22H,13H2,1-3H3