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

Systemtic Name: 1-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]cyclopentanecarboxylic acid Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2(CCCC2)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2(CCCC2)C(=O)O)Cl)C

InChI

InChI=1S/C14H18ClN3O3/c1-9-10(12(15)18(2)17-9)5-6-11(19)16-14(13(20)21)7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3,(H,16,19)(H,20,21)/b6-5+