N'-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide

Systemtic Name: N'-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide Openeye Name: N'-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide CAS Name: N'-[6-[(4-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-2-furancarbohydrazide IUPAC Name: N'-[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide Traditional Name: N'-[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-2-furohydrazide Formula: C16H13ClN6O4 MolecularWeight: 388.76522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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