3-(8-bromanyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazin-2-ium-2-yl)benzoate

Systemtic Name: 3-(8-bromanyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazin-2-ium-2-yl)benzoate Openeye Name: 3-(8-bromo-2,3-dihydro-1H-benzo[f][1,3]benzoxazin-2-ium-2-yl)benzoate CAS Name: 3-(8-bromo-2,3-dihydro-1H-benzo[f][1,3]benzoxazin-2-ium-2-yl)benzoate IUPAC Name: 3-(8-bromo-2,3-dihydro-1H-benzo[f][1,3]benzoxazin-2-ium-2-yl)benzoate Traditional Name: 3-(8-bromo-2,3-dihydro-1H-benzo[f][1,3]benzoxazin-2-ium-2-yl)benzoate Formula: C19H14BrNO3 MolecularWeight: 384.22336

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC3=C2C=CC(=C3)Br)OC[NH+]1C4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1C2=C(C=CC3=C2C=CC(=C3)Br)OC[NH+]1C4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C19H14BrNO3/c20-14-5-6-16-12(8-14)4-7-18-17(16)10-21(11-24-18)15-3-1-2-13(9-15)19(22)23/h1-9H,10-11H2,(H,22,23)