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

Systemtic Name: 4-[[1-(4-bromanyl-2,3-dimethyl-phenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[1-(4-bromo-2,3-dimethyl-phenyl)-3-methylene-5-oxo-pyrazolidin-4-ylidene]methylamino]-2-hydroxy-benzoic acid CAS Name: 4-[[1-(4-bromo-2,3-dimethylphenyl)-3-methylene-5-oxo-4-pyrazolidinylidene]methylamino]-2-hydroxybenzoic acid IUPAC Name: 4-[[1-(4-bromo-2,3-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-2-hydroxybenzoic acid Traditional Name: 4-[[1-(4-bromo-2,3-dimethyl-phenyl)-5-keto-3-methylene-pyrazolidin-4-ylidene]methylamino]-2-hydroxy-benzoic acid Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)N2C(=O)C(=CNC3=CC(=C(C=C3)C(=O)O)O)C(=C)N2

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)N2C(=O)C(=CNC3=CC(=C(C=C3)C(=O)O)O)C(=C)N2

InChI

InChI=1S/C20H18BrN3O4/c1-10-11(2)17(7-6-16(10)21)24-19(26)15(12(3)23-24)9-22-13-4-5-14(20(27)28)18(25)8-13/h4-9,22-23,25H,3H2,1-2H3,(H,27,28)