ethyl 3-bromanyl-4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]benzoate Openeye Name: ethyl 3-bromo-4-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate CAS Name: 3-bromo-4-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate Traditional Name: 3-bromo-4-(pyroglutamoylamino)benzoic acid ethyl ester Formula: C14H15BrN2O4 MolecularWeight: 355.1839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2CCC(=O)N2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2CCC(=O)N2)Br

InChI

InChI=1S/C14H15BrN2O4/c1-2-21-14(20)8-3-4-10(9(15)7-8)17-13(19)11-5-6-12(18)16-11/h3-4,7,11H,2,5-6H2,1H3,(H,16,18)(H,17,19)