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

Systemtic Name: 4-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]butyric acid Formula: C12H16ClN3O3 MolecularWeight: 285.72674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O3/c1-8-9(12(13)16(2)15-8)5-6-10(17)14-7-3-4-11(18)19/h5-6H,3-4,7H2,1-2H3,(H,14,17)(H,18,19)/b6-5+