6-methyl-2-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[(N'E)-N'-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino]-1H-pyrimidin-4-one Formula: C13H11N5O5 MolecularWeight: 317.25694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O5/c1-7-2-12(19)16-13(15-7)17-14-5-8-3-10-11(23-6-22-10)4-9(8)18(20)21/h2-5H,6H2,1H3,(H2,15,16,17,19)/b14-5+