(4E)-4-[(3-bromophenyl)methylidene]-2-methyl-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate

Systemtic Name: (4E)-4-[(3-bromophenyl)methylidene]-2-methyl-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate Openeye Name: (4E)-4-[(3-bromophenyl)methylene]-2-methyl-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate CAS Name: (4E)-4-[(3-bromophenyl)methylidene]-2-methyl-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate IUPAC Name: (4E)-4-[(3-bromophenyl)methylidene]-2-methyl-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate Traditional Name: (4E)-4-(3-bromobenzylidene)-2-methyl-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate Formula: C21H17BrN2O2 MolecularWeight: 409.27588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=CC2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

Isomeric SMILES

C[NH+]1C/C(=C\C2=CC(=CC=C2)Br)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

InChI

InChI=1S/C21H17BrN2O2/c1-24-11-14(9-13-5-4-6-15(22)10-13)20-17(12-24)19(21(25)26)16-7-2-3-8-18(16)23-20/h2-10H,11-12H2,1H3,(H,25,26)/b14-9+