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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-bromophenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-bromophenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-bromophenoxy)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C18H13BrN4O5 MolecularWeight: 445.22362

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O5/c19-12-2-4-13(5-3-12)28-18-16(23(24)25)17(21-9-22-18)20-8-11-1-6-14-15(7-11)27-10-26-14/h1-7,9H,8,10H2,(H,20,21,22)