[2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[2-(2-furylmethylcarbamoyl)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[2-[(2-furanylmethylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[2-(2-furfurylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C20H17N3O6/c24-18(13-29-20(26)14-7-9-23(27)10-8-14)22-17-6-2-1-5-16(17)19(25)21-12-15-4-3-11-28-15/h1-11H,12-13H2,(H,21,25)(H,22,24)