ethyl 5-ethylidene-2-(3-methylphenyl)carbonyl-3-oxidanyl-pyrazolidine-3-carboxylate

Systemtic Name: ethyl 5-ethylidene-2-(3-methylphenyl)carbonyl-3-oxidanyl-pyrazolidine-3-carboxylate Openeye Name: ethyl 5-ethylidene-3-hydroxy-2-(3-methylbenzoyl)pyrazolidine-3-carboxylate CAS Name: 5-ethylidene-3-hydroxy-2-[(3-methylphenyl)-oxomethyl]-3-pyrazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethylidene-3-hydroxy-2-(3-methylbenzoyl)pyrazolidine-3-carboxylate Traditional Name: 5-ethylidene-3-hydroxy-2-m-toluoyl-pyrazolidine-3-carboxylic acid ethyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=CC)NN1C(=O)C2=CC(=CC=C2)C)O

Isomeric SMILES

CCOC(=O)C1(CC(=CC)NN1C(=O)C2=CC(=CC=C2)C)O

InChI

InChI=1S/C16H20N2O4/c1-4-13-10-16(21,15(20)22-5-2)18(17-13)14(19)12-8-6-7-11(3)9-12/h4,6-9,17,21H,5,10H2,1-3H3