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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C=CC1=C(N(N=C1C)C)Cl

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)/C=C/C1=C(N(N=C1C)C)Cl

InChI

InChI=1S/C14H20ClN3O3/c1-5-8(2)12(14(20)21)16-11(19)7-6-10-9(3)17-18(4)13(10)15/h6-8,12H,5H2,1-4H3,(H,16,19)(H,20,21)/b7-6+