1-[(E)-4-(1-methylpyrazol-4-yl)-4-oxidanylidene-but-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-4-(1-methylpyrazol-4-yl)-4-oxidanylidene-but-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-4-(1-methylpyrazol-4-yl)-4-oxo-but-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-4-(1-methyl-4-pyrazolyl)-1,4-dioxobut-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-4-(1-methylpyrazol-4-yl)-4-oxobut-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-4-keto-4-(1-methylpyrazol-4-yl)but-2-enoyl]proline Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)C=CC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CN1C=C(C=N1)C(=O)/C=C/C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C13H15N3O4/c1-15-8-9(7-14-15)11(17)4-5-12(18)16-6-2-3-10(16)13(19)20/h4-5,7-8,10H,2-3,6H2,1H3,(H,19,20)/b5-4+