[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]ethyl] ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C21H16N2O6/c1-27-19-10-15-14-4-2-3-5-17(14)29-18(15)11-16(19)22-20(24)12-28-21(25)13-6-8-23(26)9-7-13/h2-11H,12H2,1H3,(H,22,24)