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

Systemtic Name: 3-[[1-(4-bromanyl-2,3-dimethyl-phenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]-4-methyl-benzoate Openeye Name: 3-[[1-(4-bromo-2,3-dimethyl-phenyl)-3-methylene-5-oxo-pyrazolidin-4-ylidene]methylamino]-4-methyl-benzoate CAS Name: 3-[[1-(4-bromo-2,3-dimethylphenyl)-3-methylene-5-oxo-4-pyrazolidinylidene]methylamino]-4-methylbenzoate IUPAC Name: 3-[[1-(4-bromo-2,3-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-4-methylbenzoate Traditional Name: 3-[[1-(4-bromo-2,3-dimethyl-phenyl)-5-keto-3-methylene-pyrazolidin-4-ylidene]methylamino]-4-methyl-benzoate Formula: C21H19BrN3O3- MolecularWeight: 441.29786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC=C2C(=C)NN(C2=O)C3=C(C(=C(C=C3)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC=C2C(=C)NN(C2=O)C3=C(C(=C(C=C3)Br)C)C

InChI

InChI=1S/C21H20BrN3O3/c1-11-5-6-15(21(27)28)9-18(11)23-10-16-14(4)24-25(20(16)26)19-8-7-17(22)12(2)13(19)3/h5-10,23-24H,4H2,1-3H3,(H,27,28)/p-1