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

Systemtic Name: methyl 2-[(4Z)-4-[1-[(4-bromophenyl)amino]ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-4-[1-(4-bromoanilino)ethylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-4-[1-(4-bromoanilino)ethylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-[1-(4-bromoanilino)ethylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-4-[1-(4-bromoanilino)ethylidene]-5-keto-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NC3=CC=C(C=C3)Br

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)/NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O3/c1-13(22-15-10-8-14(21)9-11-15)19-17(12-18(25)27-2)23-24(20(19)26)16-6-4-3-5-7-16/h3-11,22H,12H2,1-2H3/b19-13-