1-[3-tert-butyl-4-methoxy-5-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-1,3-diazinane-2,4-dione

Systemtic Name: 1-[3-tert-butyl-4-methoxy-5-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-1,3-diazinane-2,4-dione Openeye Name: 1-[3-tert-butyl-4-methoxy-5-(6-nitro-1,3-benzoxazol-2-yl)phenyl]hexahydropyrimidine-2,4-dione CAS Name: 1-[3-tert-butyl-4-methoxy-5-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-1,3-diazinane-2,4-dione IUPAC Name: 1-[3-tert-butyl-4-methoxy-5-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-1,3-diazinane-2,4-dione Traditional Name: 1-[3-tert-butyl-4-methoxy-5-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-5,6-dihydrouracil Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)N2CCC(=O)NC2=O)C3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)N2CCC(=O)NC2=O)C3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O6/c1-22(2,3)15-10-13(25-8-7-18(27)24-21(25)28)9-14(19(15)31-4)20-23-16-6-5-12(26(29)30)11-17(16)32-20/h5-6,9-11H,7-8H2,1-4H3,(H,24,27,28)