6-bromanyl-3-(4-nitrophenyl)carbonyl-[1,3]oxazolo[3,2-a]pyridin-4-ium-2-olate

Systemtic Name: 6-bromanyl-3-(4-nitrophenyl)carbonyl-[1,3]oxazolo[3,2-a]pyridin-4-ium-2-olate Openeye Name: 6-bromo-3-(4-nitrobenzoyl)oxazolo[3,2-a]pyridin-4-ium-2-olate CAS Name: 6-bromo-3-[(4-nitrophenyl)-oxomethyl]-2-oxazolo[3,2-a]pyridin-4-iumolate IUPAC Name: 6-bromo-3-(4-nitrobenzoyl)-[1,3]oxazolo[3,2-a]pyridin-4-ium-2-olate Traditional Name: 6-bromo-3-(4-nitrobenzoyl)oxazolo[3,2-a]pyridin-4-ium-2-olate Formula: C14H7BrN2O5 MolecularWeight: 363.11978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(OC3=[N+]2C=C(C=C3)Br)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(OC3=[N+]2C=C(C=C3)Br)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H7BrN2O5/c15-9-3-6-11-16(7-9)12(14(19)22-11)13(18)8-1-4-10(5-2-8)17(20)21/h1-7H