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

Systemtic Name: [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [1-[(2-methoxy-3-dibenzofuranyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C22H18N2O6/c1-13(29-22(26)14-7-9-24(27)10-8-14)21(25)23-17-12-19-16(11-20(17)28-2)15-5-3-4-6-18(15)30-19/h3-13H,1-2H3,(H,23,25)