ethyl 3-[[2-(3-methylbut-2-enoyl)pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(3-methylbut-2-enoyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(3-methylbut-2-enoyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-(3-methyl-1-oxobut-2-enyl)-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-methylbut-2-enoyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(3-methylbut-2-enoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C=C(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C=C(C)C

InChI

InChI=1S/C18H23N3O4/c1-4-25-17(23)14-7-5-8-15(12-14)19-18(24)21-10-6-9-20(21)16(22)11-13(2)3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,19,24)