N-[4-(1,3-benzodioxol-5-yl)-5-ethanoyl-6-methyl-1,4-dihydropyrimidin-2-yl]nitramide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-5-ethanoyl-6-methyl-1,4-dihydropyrimidin-2-yl]nitramide Openeye Name: N-[5-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrimidin-2-yl]nitramide CAS Name: N-[5-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrimidin-2-yl]nitramide IUPAC Name: N-[5-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrimidin-2-yl]nitramide Traditional Name: N-[5-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrimidin-2-yl]nitramide Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)N[N+](=O)[O-])C2=CC3=C(C=C2)OCO3)C(=O)C

Isomeric SMILES

CC1=C(C(N=C(N1)N[N+](=O)[O-])C2=CC3=C(C=C2)OCO3)C(=O)C

InChI

InChI=1S/C14H14N4O5/c1-7-12(8(2)19)13(16-14(15-7)17-18(20)21)9-3-4-10-11(5-9)23-6-22-10/h3-5,13H,6H2,1-2H3,(H2,15,16,17)