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

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H12N2O4/c19-15(13-9-17-14-4-2-1-3-12(13)14)10-22-16(20)11-5-7-18(21)8-6-11/h1-9,17H,10H2