N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[2-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-oxo-ethyl]-3-fluoro-benzamide CAS Name: N-[2-[(6-amino-5-nitro-4-pyrimidinyl)hydrazo]-2-oxoethyl]-3-fluorobenzamide IUPAC Name: N-[2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl]-3-fluorobenzamide Traditional Name: N-[2-[N'-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-keto-ethyl]-3-fluoro-benzamide Formula: C13H12FN7O4 MolecularWeight: 349.277283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=O)NCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)NCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C13H12FN7O4/c14-8-3-1-2-7(4-8)13(23)16-5-9(22)19-20-12-10(21(24)25)11(15)17-6-18-12/h1-4,6H,5H2,(H,16,23)(H,19,22)(H3,15,17,18,20)