[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC=[N+](C=C3)[O-])C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC=[N+](C=C3)[O-])C)C

InChI

InChI=1S/C20H20N2O4/c1-20(2)16-6-4-5-7-17(16)21(3)18(20)12-15(23)13-26-19(24)14-8-10-22(25)11-9-14/h4-12H,13H2,1-3H3