tert-butyl 5-oxidanidyl-2-phenyl-pyrrolo[3,2-c]pyridin-5-ium-1-carboxylate

Systemtic Name: tert-butyl 5-oxidanidyl-2-phenyl-pyrrolo[3,2-c]pyridin-5-ium-1-carboxylate Openeye Name: tert-butyl 5-oxido-2-phenyl-pyrrolo[3,2-c]pyridin-5-ium-1-carboxylate CAS Name: 5-oxido-2-phenyl-1-pyrrolo[3,2-c]pyridin-5-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-oxido-2-phenylpyrrolo[3,2-c]pyridin-5-ium-1-carboxylate Traditional Name: 5-oxido-2-phenyl-pyrrolo[3,2-c]pyridin-5-ium-1-carboxylic acid tert-butyl ester Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C1C3=CC=CC=C3)C=[N+](C=C2)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C1C3=CC=CC=C3)C=[N+](C=C2)[O-]

InChI

InChI=1S/C18H18N2O3/c1-18(2,3)23-17(21)20-15-9-10-19(22)12-14(15)11-16(20)13-7-5-4-6-8-13/h4-12H,1-3H3