2-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]-3-methyl-butyric acid Formula: C13H18ClN3O3 MolecularWeight: 299.75332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC(C(C)C)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC(C(C)C)C(=O)O)Cl)C

InChI

InChI=1S/C13H18ClN3O3/c1-7(2)11(13(19)20)15-10(18)6-5-9-8(3)16-17(4)12(9)14/h5-7,11H,1-4H3,(H,15,18)(H,19,20)/b6-5+