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

Systemtic Name: 1-[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]-4-hydroxy-proline Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CC(CC2C(=O)O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CC(CC2C(=O)O)O)Cl)C

InChI

InChI=1S/C13H16ClN3O4/c1-7-9(12(14)16(2)15-7)3-4-11(19)17-6-8(18)5-10(17)13(20)21/h3-4,8,10,18H,5-6H2,1-2H3,(H,20,21)/b4-3+