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

Systemtic Name: N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-[2-[2-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[2-[(6-amino-5-nitro-4-pyrimidinyl)hydrazo]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-[2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-[2-[N'-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-keto-ethyl]-4-nitro-benzamide Formula: C13H12N8O6 MolecularWeight: 376.28438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N8O6/c14-11-10(21(26)27)12(17-6-16-11)19-18-9(22)5-15-13(23)7-1-3-8(4-2-7)20(24)25/h1-4,6H,5H2,(H,15,23)(H,18,22)(H3,14,16,17,19)