2-[[1-(4-bromanyl-2,3-dimethyl-phenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]benzoic acid

Systemtic Name: 2-[[1-(4-bromanyl-2,3-dimethyl-phenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]benzoic acid Openeye Name: 2-[[1-(4-bromo-2,3-dimethyl-phenyl)-3-methylene-5-oxo-pyrazolidin-4-ylidene]methylamino]benzoic acid CAS Name: 2-[[1-(4-bromo-2,3-dimethylphenyl)-3-methylene-5-oxo-4-pyrazolidinylidene]methylamino]benzoic acid IUPAC Name: 2-[[1-(4-bromo-2,3-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]benzoic acid Traditional Name: 2-[[1-(4-bromo-2,3-dimethyl-phenyl)-5-keto-3-methylene-pyrazolidin-4-ylidene]methylamino]benzoic acid Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)N2C(=O)C(=CNC3=CC=CC=C3C(=O)O)C(=C)N2

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)N2C(=O)C(=CNC3=CC=CC=C3C(=O)O)C(=C)N2

InChI

InChI=1S/C20H18BrN3O3/c1-11-12(2)18(9-8-16(11)21)24-19(25)15(13(3)23-24)10-22-17-7-5-4-6-14(17)20(26)27/h4-10,22-23H,3H2,1-2H3,(H,26,27)