butyl 4-[[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzoate

Systemtic Name: butyl 4-[[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzoate Openeye Name: butyl 4-[[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]benzoate CAS Name: 4-[[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoate Traditional Name: 4-[[(Z)-[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]benzoic acid butyl ester Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H22BrN3O3/c1-3-4-13-29-22(28)16-5-9-18(10-6-16)24-14-20-15(2)25-26(21(20)27)19-11-7-17(23)8-12-19/h5-12,14,24H,3-4,13H2,1-2H3/b20-14-