methyl 4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate Traditional Name: 4-(pyroglutamoylamino)benzoic acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(=O)N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(=O)N2

InChI

InChI=1S/C13H14N2O4/c1-19-13(18)8-2-4-9(5-3-8)14-12(17)10-6-7-11(16)15-10/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,16)