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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H15ClN4O5 MolecularWeight: 414.7992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H15ClN4O5/c1-10-5-13(6-11(2)16(10)20)29-19-17(24(25)26)18(21-8-22-19)23-12-3-4-14-15(7-12)28-9-27-14/h3-8H,9H2,1-2H3,(H,21,22,23)