ethyl 3-[(2-but-3-enoylpyrazolidin-1-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(2-but-3-enoylpyrazolidin-1-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(2-but-3-enoylpyrazolidine-1-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[2-(1-oxobut-3-enyl)-1-pyrazolidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-but-3-enoylpyrazolidine-1-carbonyl)amino]benzoate Traditional Name: 3-[(2-but-3-enoylpyrazolidine-1-carbonyl)amino]benzoic acid ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-3-7-15(21)19-10-6-11-20(19)17(23)18-14-9-5-8-13(12-14)16(22)24-4-2/h3,5,8-9,12H,1,4,6-7,10-11H2,2H3,(H,18,23)