diethyl 2-bromanyl-2-(1-oxidanidyl-1,5-naphthyridin-1-ium-4-yl)propanedioate

Systemtic Name: diethyl 2-bromanyl-2-(1-oxidanidyl-1,5-naphthyridin-1-ium-4-yl)propanedioate Openeye Name: diethyl 2-bromo-2-(1-oxido-1,5-naphthyridin-1-ium-4-yl)propanedioate CAS Name: 2-bromo-2-(1-oxido-1,5-naphthyridin-1-ium-4-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-bromo-2-(1-oxido-1,5-naphthyridin-1-ium-4-yl)propanedioate Traditional Name: 2-bromo-2-(1-oxido-1,5-naphthyridin-1-ium-4-yl)malonic acid diethyl ester Formula: C15H15BrN2O5 MolecularWeight: 383.194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C2C(=[N+](C=C1)[O-])C=CC=N2)(C(=O)OCC)Br

Isomeric SMILES

CCOC(=O)C(C1=C2C(=[N+](C=C1)[O-])C=CC=N2)(C(=O)OCC)Br

InChI

InChI=1S/C15H15BrN2O5/c1-3-22-13(19)15(16,14(20)23-4-2)10-7-9-18(21)11-6-5-8-17-12(10)11/h5-9H,3-4H2,1-2H3