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

Systemtic Name: 4-[[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C18H13BrN3O3- MolecularWeight: 399.21812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\NC2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrN3O3/c1-11-16(10-20-14-6-2-12(3-7-14)18(24)25)17(23)22(21-11)15-8-4-13(19)5-9-15/h2-10,20H,1H3,(H,24,25)/p-1/b16-10-