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

Systemtic Name: N'-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide Openeye Name: N'-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide CAS Name: N'-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-3-pyridinecarbohydrazide IUPAC Name: N'-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide Traditional Name: N'-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]nicotinohydrazide Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O4/c1-11-6-12(2)8-14(7-11)28-18-15(24(26)27)16(20-10-21-18)22-23-17(25)13-4-3-5-19-9-13/h3-10H,1-2H3,(H,23,25)(H,20,21,22)