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

Systemtic Name: methyl 4-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzoate Openeye Name: methyl 4-[[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]benzoate CAS Name: 4-[[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]benzoate Traditional Name: 4-[[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]benzoic acid methyl ester Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O3/c1-12-17(11-21-15-7-3-13(4-8-15)19(25)26-2)18(24)23(22-12)16-9-5-14(20)6-10-16/h3-11,21H,1-2H3