N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-5-nitropyrimidin-4-amine Traditional Name: (6-chloro-5-nitro-pyrimidin-4-yl)-piperonyl-amine Formula: C12H9ClN4O4 MolecularWeight: 308.67726

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN4O4/c13-11-10(17(18)19)12(16-5-15-11)14-4-7-1-2-8-9(3-7)21-6-20-8/h1-3,5H,4,6H2,(H,14,15,16)