2-(3-bromanylquinolin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-(3-bromanylquinolin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-(3-bromoquinolin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-(3-bromo-1-quinolin-1-iumyl)-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-(3-bromoquinolin-1-ium-1-yl)-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-(3-bromoquinolin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C18H14BrN2O4+ MolecularWeight: 402.21876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC(=CC3=CC=CC=C32)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC(=CC3=CC=CC=C32)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrN2O4/c1-25-18-7-6-13(9-16(18)21(23)24)17(22)11-20-10-14(19)8-12-4-2-3-5-15(12)20/h2-10H,11H2,1H3/q+1