N-(4-nitro-1,3-benzodioxol-5-yl)-1-pyrimidin-2-yl-methanimine

Systemtic Name: N-(4-nitro-1,3-benzodioxol-5-yl)-1-pyrimidin-2-yl-methanimine Openeye Name: N-(4-nitro-1,3-benzodioxol-5-yl)-1-pyrimidin-2-yl-methanimine CAS Name: N-(4-nitro-1,3-benzodioxol-5-yl)-1-(2-pyrimidinyl)methanimine IUPAC Name: N-(4-nitro-1,3-benzodioxol-5-yl)-1-pyrimidin-2-ylmethanimine Traditional Name: (4-nitro-1,3-benzodioxol-5-yl)-(2-pyrimidylmethylene)amine Formula: C12H8N4O4 MolecularWeight: 272.21632

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)N=CC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)N=CC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O4/c17-16(18)11-8(2-3-9-12(11)20-7-19-9)15-6-10-13-4-1-5-14-10/h1-6H,7H2