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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C19H15ClN4O5/c1-11-6-13(3-4-14(11)20)29-19-17(24(25)26)18(22-9-23-19)21-8-12-2-5-15-16(7-12)28-10-27-15/h2-7,9H,8,10H2,1H3,(H,21,22,23)