2-chloranyl-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzohydrazide

Systemtic Name: 2-chloranyl-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: 2-chloro-N'-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]benzohydrazide CAS Name: 2-chloro-N'-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-chloro-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: 2-chloro-N'-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]benzohydrazide Formula: C17H14ClN7O3 MolecularWeight: 399.79116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C17H14ClN7O3/c18-13-6-2-1-5-12(13)17(26)24-23-16-14(25(27)28)15(21-10-22-16)20-9-11-4-3-7-19-8-11/h1-8,10H,9H2,(H,24,26)(H2,20,21,22,23)