3-chloranyl-N'-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 3-chloranyl-N'-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C16H14ClN7O3 MolecularWeight: 387.78046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C16H14ClN7O3/c1-9-6-10(2)23(22-9)15-13(24(26)27)14(18-8-19-15)20-21-16(25)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,21,25)(H,18,19,20)