methyl 2-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=[N+](C=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=[N+](C=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H18N2O5/c1-30-24(28)22-20(15-31-23(27)17-11-13-26(29)14-12-17)25-19-10-6-5-9-18(19)21(22)16-7-3-2-4-8-16/h2-14H,15H2,1H3