N-(1,3-benzodioxol-5-yl)-5-nitro-6-phenoxy-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-phenoxy-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-phenoxy-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-phenoxy-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-phenoxypyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-(5-nitro-6-phenoxy-pyrimidin-4-yl)amine Formula: C17H12N4O5 MolecularWeight: 352.30098

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O5/c22-21(23)15-16(20-11-6-7-13-14(8-11)25-10-24-13)18-9-19-17(15)26-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19,20)