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

Systemtic Name: N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]-2-(trifluoromethyl)benzamide Openeye Name: N-[2-[2-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-oxo-ethyl]-2-(trifluoromethyl)benzamide CAS Name: N-[2-[(6-amino-5-nitro-4-pyrimidinyl)hydrazo]-2-oxoethyl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide Traditional Name: N-[2-[N'-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-keto-ethyl]-2-(trifluoromethyl)benzamide Formula: C14H12F3N7O4 MolecularWeight: 399.28479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F3N7O4/c15-14(16,17)8-4-2-1-3-7(8)13(26)19-5-9(25)22-23-12-10(24(27)28)11(18)20-6-21-12/h1-4,6H,5H2,(H,19,26)(H,22,25)(H3,18,20,21,23)