1-[1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-dione

Systemtic Name: 1-[1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-dione Openeye Name: 1-[1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-dione CAS Name: 1-[1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-dione IUPAC Name: 1-[1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-dione Traditional Name: 1-[1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-quinone Formula: C19H16N4O7S MolecularWeight: 444.41794

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])N4C=CC(=O)NC4=O

Isomeric SMILES

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])N4C=CC(=O)NC4=O

InChI

InChI=1S/C19H16N4O7S/c24-17-9-10-21(19(25)20-17)18-11-22(14-6-2-1-5-13(14)12-30-18)31(28,29)16-8-4-3-7-15(16)23(26)27/h1-10,18H,11-12H2,(H,20,24,25)