1-cyclopropyl-2-(4,4-dimethyl-5,6-dihydro-1,3-oxazin-6-yl)-3-(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-dione

Systemtic Name: 1-cyclopropyl-2-(4,4-dimethyl-5,6-dihydro-1,3-oxazin-6-yl)-3-(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-dione Openeye Name: 1-cyclopropyl-2-(4,4-dimethyl-5,6-dihydro-1,3-oxazin-6-yl)-3-(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-dione CAS Name: 1-cyclopropyl-2-(4,4-dimethyl-5,6-dihydro-1,3-oxazin-6-yl)-3-(4-methylsulfonyl-2-nitrophenyl)propane-1,3-dione IUPAC Name: 1-cyclopropyl-2-(4,4-dimethyl-5,6-dihydro-1,3-oxazin-6-yl)-3-(4-methylsulfonyl-2-nitrophenyl)propane-1,3-dione Traditional Name: 1-cyclopropyl-2-(4,4-dimethyl-5,6-dihydro-1,3-oxazin-6-yl)-3-(4-mesyl-2-nitro-phenyl)propane-1,3-dione Formula: C19H22N2O7S MolecularWeight: 422.45218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC=N1)C(C(=O)C2CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(OC=N1)C(C(=O)C2CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O7S/c1-19(2)9-15(28-10-20-19)16(17(22)11-4-5-11)18(23)13-7-6-12(29(3,26)27)8-14(13)21(24)25/h6-8,10-11,15-16H,4-5,9H2,1-3H3