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

Systemtic Name: 3-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]propionic acid Formula: C11H14ClN3O3 MolecularWeight: 271.70016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN3O3/c1-7-8(11(12)15(2)14-7)3-4-9(16)13-6-5-10(17)18/h3-4H,5-6H2,1-2H3,(H,13,16)(H,17,18)/b4-3+