2-[[1-(4-bromanyl-3-methyl-phenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]ethanoic acid

Systemtic Name: 2-[[1-(4-bromanyl-3-methyl-phenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]ethanoic acid Openeye Name: 2-[[1-(4-bromo-3-methyl-phenyl)-3-methylene-5-oxo-pyrazolidin-4-ylidene]methylamino]acetic acid CAS Name: 2-[[1-(4-bromo-3-methylphenyl)-3-methylene-5-oxo-4-pyrazolidinylidene]methylamino]acetic acid IUPAC Name: 2-[[1-(4-bromo-3-methylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]acetic acid Traditional Name: 2-[[1-(4-bromo-3-methyl-phenyl)-5-keto-3-methylene-pyrazolidin-4-ylidene]methylamino]acetic acid Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C(=CNCC(=O)O)C(=C)N2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C(=CNCC(=O)O)C(=C)N2)Br

InChI

InChI=1S/C14H14BrN3O3/c1-8-5-10(3-4-12(8)15)18-14(21)11(9(2)17-18)6-16-7-13(19)20/h3-6,16-17H,2,7H2,1H3,(H,19,20)