5-chloranyl-2-methoxy-4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid Traditional Name: 5-chloro-2-methoxy-4-(pyroglutamoylamino)benzoic acid Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)C2CCC(=O)N2

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)C2CCC(=O)N2

InChI

InChI=1S/C13H13ClN2O5/c1-21-10-5-9(7(14)4-6(10)13(19)20)16-12(18)8-2-3-11(17)15-8/h4-5,8H,2-3H2,1H3,(H,15,17)(H,16,18)(H,19,20)