3-[[1-(4-bromanyl-3-methyl-phenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]benzoate

Systemtic Name: 3-[[1-(4-bromanyl-3-methyl-phenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]benzoate Openeye Name: 3-[[1-(4-bromo-3-methyl-phenyl)-3-methylene-5-oxo-pyrazolidin-4-ylidene]methylamino]benzoate CAS Name: 3-[[1-(4-bromo-3-methylphenyl)-3-methylene-5-oxo-4-pyrazolidinylidene]methylamino]benzoate IUPAC Name: 3-[[1-(4-bromo-3-methylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]benzoate Traditional Name: 3-[[1-(4-bromo-3-methyl-phenyl)-5-keto-3-methylene-pyrazolidin-4-ylidene]methylamino]benzoate Formula: C19H15BrN3O3- MolecularWeight: 413.2447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C(=CNC3=CC=CC(=C3)C(=O)[O-])C(=C)N2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C(=CNC3=CC=CC(=C3)C(=O)[O-])C(=C)N2)Br

InChI

InChI=1S/C19H16BrN3O3/c1-11-8-15(6-7-17(11)20)23-18(24)16(12(2)22-23)10-21-14-5-3-4-13(9-14)19(25)26/h3-10,21-22H,2H2,1H3,(H,25,26)/p-1