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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-ethyl-5-nitro-3,4-dihydro-1H-pyrimidin-2-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-ethyl-5-nitro-3,4-dihydro-1H-pyrimidin-2-one CAS Name: 4-(1,3-benzodioxol-5-yl)-6-ethyl-5-nitro-3,4-dihydro-1H-pyrimidin-2-one IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-ethyl-5-nitro-3,4-dihydro-1H-pyrimidin-2-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-ethyl-5-nitro-3,4-dihydro-1H-pyrimidin-2-one Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-2-8-12(16(18)19)11(15-13(17)14-8)7-3-4-9-10(5-7)21-6-20-9/h3-5,11H,2,6H2,1H3,(H2,14,15,17)