3-[[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]carbamoyl]hex-5-enoic acid

Systemtic Name: 3-[[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]carbamoyl]hex-5-enoic acid Openeye Name: 3-[[[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]carbamoyl]hex-5-enoic acid CAS Name: 3-[[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]hydrazo]-oxomethyl]-5-hexenoic acid IUPAC Name: 3-[[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamoyl]hex-5-enoic acid Traditional Name: 3-[[[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]carbamoyl]hex-5-enoic acid Formula: C14H19BrN4O4 MolecularWeight: 387.22906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NNC(=O)C(CC=C)CC(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NNC(=O)C(CC=C)CC(=O)O)C)Br

InChI

InChI=1S/C14H19BrN4O4/c1-4-5-10(6-12(21)22)14(23)17-16-11(20)7-19-9(3)13(15)8(2)18-19/h4,10H,1,5-7H2,2-3H3,(H,16,20)(H,17,23)(H,21,22)