4-(1,3-benzodioxol-5-yl)-1,3,6-trimethyl-5-nitro-4H-pyrimidin-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1,3,6-trimethyl-5-nitro-4H-pyrimidin-2-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-1,3,6-trimethyl-5-nitro-4H-pyrimidin-2-one CAS Name: 4-(1,3-benzodioxol-5-yl)-1,3,6-trimethyl-5-nitro-4H-pyrimidin-2-one IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1,3,6-trimethyl-5-nitro-4H-pyrimidin-2-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-1,3,6-trimethyl-5-nitro-4H-pyrimidin-2-one Formula: C14H15N3O5 MolecularWeight: 305.286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1C)C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(N(C(=O)N1C)C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O5/c1-8-12(17(19)20)13(16(3)14(18)15(8)2)9-4-5-10-11(6-9)22-7-21-10/h4-6,13H,7H2,1-3H3