2-[2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyliminomethyl]-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-[2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyliminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyliminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyliminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyliminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[2-[(4-aminofurazan-3-carbonyl)amino]ethyliminomethyl]-6-methoxy-4-nitro-phenolate Formula: C13H13N6O6- MolecularWeight: 349.27892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NCCNC(=O)C2=NON=C2N)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NCCNC(=O)C2=NON=C2N)[O-]

InChI

InChI=1S/C13H14N6O6/c1-24-9-5-8(19(22)23)4-7(11(9)20)6-15-2-3-16-13(21)10-12(14)18-25-17-10/h4-6,20H,2-3H2,1H3,(H2,14,18)(H,16,21)/p-1