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

Systemtic Name: 3-chloranyl-N'-[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C16H13ClN6O4 MolecularWeight: 388.76522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C16H13ClN6O4/c17-11-4-1-3-10(7-11)16(24)22-21-15-13(23(25)26)14(19-9-20-15)18-8-12-5-2-6-27-12/h1-7,9H,8H2,(H,22,24)(H2,18,19,20,21)