2-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamoyl]benzoic acid

Systemtic Name: 2-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamoyl]benzoic acid Openeye Name: 2-[[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]carbamoyl]benzoic acid CAS Name: 2-[[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]carbamoyl]benzoic acid Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CO2)C(=O)NNC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=CO2)C(=O)NNC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17N3O6/c22-15-8-11(9-21(15)10-12-4-3-7-27-12)16(23)19-20-17(24)13-5-1-2-6-14(13)18(25)26/h1-7,11H,8-10H2,(H,19,23)(H,20,24)(H,25,26)