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

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

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

Isomeric SMILES

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

InChI

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