4-bromanyl-2-[(2R)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-6-nitro-phenolate

Systemtic Name: 4-bromanyl-2-[(2R)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[(2R)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-6-nitro-phenolate CAS Name: 4-bromo-2-[(2R)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[(2R)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-6-nitrophenolate Traditional Name: 4-bromo-2-[(2R)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazin-2-yl]-6-nitro-phenolate Formula: C26H18BrN2O4- MolecularWeight: 502.33612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C3=CC=CC=C3NC(O2)C4=CC(=CC(=C4[O-])[N+](=O)[O-])Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2(C3=CC=CC=C3N[C@H](O2)C4=CC(=CC(=C4[O-])[N+](=O)[O-])Br)C5=CC=CC=C5

InChI

InChI=1S/C26H19BrN2O4/c27-19-15-20(24(30)23(16-19)29(31)32)25-28-22-14-8-7-13-21(22)26(33-25,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,25,28,30H/p-1/t25-/m1/s1