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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N(C)CCCC(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N(C)CCCC(=O)O)Cl)C

InChI

InChI=1S/C13H18ClN3O3/c1-9-10(13(14)17(3)15-9)6-7-11(18)16(2)8-4-5-12(19)20/h6-7H,4-5,8H2,1-3H3,(H,19,20)/b7-6+