4-chloranyl-N'-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: 4-chloranyl-N'-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C19H15ClN6O6 MolecularWeight: 458.812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN6O6/c1-10-5-11(2)7-13(6-10)32-19-16(26(30)31)17(21-9-22-19)23-24-18(27)12-3-4-14(20)15(8-12)25(28)29/h3-9H,1-2H3,(H,24,27)(H,21,22,23)