2-(5-azanylimidazol-4-ylidene)-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3H-1,3-oxazole-4-carboxamide

Systemtic Name: 2-(5-azanylimidazol-4-ylidene)-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3H-1,3-oxazole-4-carboxamide Openeye Name: 2-(5-aminoimidazol-4-ylidene)-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]-3H-oxazole-4-carboxamide CAS Name: 2-(5-amino-4-imidazolylidene)-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-3H-oxazole-4-carboxamide IUPAC Name: 2-(5-aminoimidazol-4-ylidene)-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3H-1,3-oxazole-4-carboxamide Traditional Name: 2-(5-aminoimidazol-4-ylidene)-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]-4-oxazoline-4-carboxamide Formula: C14H14N8O4 MolecularWeight: 358.31216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1[N+](=O)[O-])NCCNC(=O)C2=COC(=C3C(=NC=N3)N)N2

Isomeric SMILES

C1=CC(=NC=C1[N+](=O)[O-])NCCNC(=O)C2=COC(=C3C(=NC=N3)N)N2

InChI

InChI=1S/C14H14N8O4/c15-12-11(19-7-20-12)14-21-9(6-26-14)13(23)17-4-3-16-10-2-1-8(5-18-10)22(24)25/h1-2,5-7,21H,3-4H2,(H,16,18)(H,17,23)(H2,15,19,20)