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

Systemtic Name: 2-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]-4-methyl-valeric acid Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O3/c1-8(2)7-11(14(20)21)16-12(19)6-5-10-9(3)17-18(4)13(10)15/h5-6,8,11H,7H2,1-4H3,(H,16,19)(H,20,21)/b6-5+