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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-ethoxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-ethoxy-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-ethoxy-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-ethoxy-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-(6-ethoxy-5-nitro-pyrimidin-4-yl)amine Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12N4O5/c1-2-20-13-11(17(18)19)12(14-6-15-13)16-8-3-4-9-10(5-8)22-7-21-9/h3-6H,2,7H2,1H3,(H,14,15,16)