[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-(2-phenyl-1H-indol-3-yl)ethyl] ester Formula: C22H16N2O4 MolecularWeight: 372.37344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C22H16N2O4/c25-19(14-28-22(26)16-10-12-24(27)13-11-16)20-17-8-4-5-9-18(17)23-21(20)15-6-2-1-3-7-15/h1-13,23H,14H2